 Entering Gaussian System, Link 0=g16
 Input=36a_RhEn3-lel3_STD_B3LYPDBJ-augccpVDZr.in
 Output=36a_RhEn3-lel3_STD_B3LYPDBJ-augccpVDZr.log
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
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            ****
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            ****
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            ****
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            ****
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            ****
            -Mn     0
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                  6.554800D-02          -9.011202D-03
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                  1.349768D+05          -8.570592D-06
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                  6.554800D-02           5.755741D-01
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            S    20   1.00
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                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
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            S    1   1.00
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            P    16   1.00
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            ****
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                  1.934190D+01          -1.082310D-01
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            ****
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            S    20   1.00
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                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
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            P    16   1.00
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            P    16   1.00
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                  6.995600D-01           2.716570D-01
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                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
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                  6.995600D-01          -5.388760D-01
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            F    1   1.00
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            ****
            -Ga     0
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                  4.687800D+03           3.402480D-02
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            S    14   1.00
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            S    14   1.00
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            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
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            ****
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            ****
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            ****
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                  1.060579D+03           1.274240D-02
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                  1.289984D+02           2.085635D-01
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                  1.750446D+00           2.713900D-03
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                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
                  1.289984D+02          -9.158230D-02
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                  1.750446D+00           2.750453D-01
                  5.291900D-01           1.277060D-02
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                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
                  1.289984D+02           2.482540D-02
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                  2.295942D+01           4.121320D-02
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                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
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            D    5   1.00
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                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
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            D    1   1.00
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            ****
            -Y     0
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                 29.2935000              0.0066660
                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
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                  0.3225670              0.4639580
                  0.0690850              0.0204860
            S    7   1.00
                 29.2935000             -0.0013580
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                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
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            S    7   1.00
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                 16.6827000             -0.0574010
                 10.4235000              0.1106480
                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
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            S    1   1.00
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            P    6   1.00
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                  0.4727970              0.4983480
                  0.2197340              0.1957420
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            P    6   1.00
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                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
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            P    6   1.00
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                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
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            P    1   1.00
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            D    5   1.00
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                  0.5614050              0.2962740
                  0.2267020              0.3908730
                  0.0879490              0.3539610
            D    5   1.00
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                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
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            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
                  0.0777920              0.0203880
            S    7   1.00
                 53.4460000             -0.0003080
                 17.0981000              0.0096310
                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
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            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
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            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                  9.9011600              0.0214360
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                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
                  0.0847070              0.0104040
            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
                  0.0847070              0.6181780
            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
                  0.2363630              0.1703870
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            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  1.5708900              0.1278490
                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
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                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
                  0.3272000              1.0000000
            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
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            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
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            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
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            D    1   1.00
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            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
                  0.4690000              1.0000000
            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
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            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
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            S    1   1.00
                  0.0131000              1.0000000
            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
                  0.1005260              0.6128160
            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
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            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
                  0.0987360              0.0183780
            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
                  0.0987360              0.6329980
            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
                  0.0367360              1.0000000
            S    1   1.00
                  0.0137000              1.0000000
            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
                  0.0381770              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  5.7601300             -0.0164110
                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
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            D    1   1.00
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            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
                  0.0392180              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
                  0.0391720              1.0000000
            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
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            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
                 21.9974000             -0.0402860
                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
                  6.6247600              0.1011250
                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
                  0.0431300              1.0000000
            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
                  0.3661640              0.3299670
            D    1   1.00
                  0.1239770              1.0000000
            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
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            -I     0
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            -Xe     0
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                 11.7533000             -0.1437480
                  4.5708900              0.2705360
                  0.9478400             -0.4015970
                  0.4340380             -0.3195670
                  0.1050310              0.6651050
            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/B3LYPDBJ_augccpVDZ/36a_RhEn3-lel3_STD/Gau-29552.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/B3LYPDBJ_augccpVDZ/36a_RhEn3-lel3_STD/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     29553.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                 8-Jul-2021 
 ******************************************
 %NoSave
 %nproc=16
 Will use up to   16 processors via shared memory.
 %mem=80GB
 %chk=36a_RhEn3-lel3_STD_B3LYPDBJ-augccpVDZr
 ----------------------------------------------------------------------
 #P B3LYP/Gen EmpiricalDispersion=GD3BJ Integral=UltraFineGrid SCF=(NoS
 ymm,MaxCyc=120) Polar=ROA Guess=Read Geom=Check CPHF=RdFreq Pseudo=Rea
 d
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,16=1,17=8,25=1,30=1,36=2,74=-5,75=-5,116=-2,124=41/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Thu Jul  8 19:22:28 2021, MaxMem= 10737418240 cpu:               1.9 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "36a_RhEn3-lel3_STD_B3LYPDBJ-augccpVDZr.chk"
 Charge =  3 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                -0.478199000000     -2.838320000000      0.749399000000
  C                                                -0.645629000000     -2.804461000000     -0.750307000000
  N                                                -1.078681000000     -1.418399000000     -1.150041000000
  Rh                                                0.000089000000      0.000061000000      0.000067000000
  N                                                 0.452614000000     -1.723960000000      1.149911000000
  N                                                 1.266579000000      1.253203000000      1.150361000000
  C                                                 2.697130000000      1.004980000000      0.749740000000
  C                                                 2.751749000000      0.843414000000     -0.749999000000
  N                                                 1.767955000000     -0.224596000000     -1.150132000000
  N                                                -0.689162000000      1.644142000000     -1.149359000000
  C                                                -2.106386000000      1.961118000000     -0.750083000000
  C                                                -2.219517000000      1.832701000000      0.749582000000
  N                                                -1.719027000000      0.469782000000      1.150195000000
  H                                                 3.756021000000      0.579430000000     -1.083089000000
  H                                                 2.470270000000      1.765046000000     -1.260306000000
  H                                                 3.333144000000      1.825874000000      1.082628000000
  H                                                 3.035123000000      0.102500000000      1.259954000000
  H                                                -2.380317000000      2.962746000000     -1.083117000000
  H                                                -2.763117000000      1.256285000000     -1.260915000000
  H                                                -3.248557000000      1.972847000000      1.082181000000
  H                                                -1.607166000000      2.576710000000      1.260000000000
  H                                                -1.376439000000     -3.542110000000     -1.083457000000
  H                                                 0.293217000000     -3.021476000000     -1.260748000000
  H                                                -0.085550000000     -3.799768000000      1.082032000000
  H                                                -1.428624000000     -2.679610000000      1.259901000000
  H                                                 1.413300000000     -2.037405000000      1.012360000000
  H                                                 0.376507000000     -1.580276000000      2.156655000000
  H                                                -2.086004000000     -1.339860000000     -1.011556000000
  H                                                -0.954028000000     -1.314487000000     -2.156803000000
  H                                                -2.470374000000     -0.206011000000      1.012941000000
  H                                                -1.556269000000      0.464260000000      2.156877000000
  H                                                -0.118063000000      2.477516000000     -1.010037000000
  H                                                -0.660849000000      1.484860000000     -2.156217000000
  H                                                 1.057396000000      2.241932000000      1.013461000000
  H                                                 1.180208000000      1.114623000000      2.156980000000
  H                                                 2.203896000000     -1.136230000000     -1.012433000000
  H                                                 1.615436000000     -0.167935000000     -2.156845000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     37 NQM=       37 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          14         103          14          14          12          12          14          14
 AtmWgt=  12.0000000  12.0000000  14.0030740 102.9048000  14.0030740  14.0030740  12.0000000  12.0000000  14.0030740  14.0030740
 NucSpn=           0           0           2           1           2           2           0           0           2           2
 AtZEff=   3.6000000   3.6000000   4.5500000 229.5000000   4.5500000   4.5500000   3.6000000   3.6000000   4.5500000   4.5500000
 NQMom=    0.0000000   0.0000000   2.0440000   0.0000000   2.0440000   2.0440000   0.0000000   0.0000000   2.0440000   2.0440000
 NMagM=    0.0000000   0.0000000   0.4037610  -0.0884000   0.4037610   0.4037610   0.0000000   0.0000000   0.4037610   0.4037610
 AtZNuc=   6.0000000   6.0000000   7.0000000  45.0000000   7.0000000   7.0000000   6.0000000   6.0000000   7.0000000   7.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=          12          12          14           1           1           1           1           1           1           1
 AtmWgt=  12.0000000  12.0000000  14.0030740   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           0           0           2           1           1           1           1           1           1           1
 AtZEff=   3.6000000   3.6000000   4.5500000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   2.0440000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.4037610   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   7.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        21          22          23          24          25          26          27          28          29          30
 IAtWgt=           1           1           1           1           1           1           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1           1           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        31          32          33          34          35          36          37
 IAtWgt=           1           1           1           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.085645
 Leave Link  101 at Thu Jul  8 19:22:29 2021, MaxMem= 10737418240 cpu:               2.5 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -0.478199   -2.838320    0.749399
      2          6           0       -0.645629   -2.804461   -0.750307
      3          7           0       -1.078681   -1.418399   -1.150041
      4         45           0        0.000089    0.000061    0.000067
      5          7           0        0.452614   -1.723960    1.149911
      6          7           0        1.266579    1.253203    1.150361
      7          6           0        2.697130    1.004980    0.749740
      8          6           0        2.751749    0.843414   -0.749999
      9          7           0        1.767955   -0.224596   -1.150132
     10          7           0       -0.689162    1.644142   -1.149359
     11          6           0       -2.106386    1.961118   -0.750083
     12          6           0       -2.219517    1.832701    0.749582
     13          7           0       -1.719027    0.469782    1.150195
     14          1           0        3.756021    0.579430   -1.083089
     15          1           0        2.470270    1.765046   -1.260306
     16          1           0        3.333144    1.825874    1.082628
     17          1           0        3.035123    0.102500    1.259954
     18          1           0       -2.380317    2.962746   -1.083117
     19          1           0       -2.763117    1.256285   -1.260915
     20          1           0       -3.248557    1.972847    1.082181
     21          1           0       -1.607166    2.576710    1.260000
     22          1           0       -1.376439   -3.542110   -1.083457
     23          1           0        0.293217   -3.021476   -1.260748
     24          1           0       -0.085550   -3.799768    1.082032
     25          1           0       -1.428624   -2.679610    1.259901
     26          1           0        1.413300   -2.037405    1.012360
     27          1           0        0.376507   -1.580276    2.156655
     28          1           0       -2.086004   -1.339860   -1.011556
     29          1           0       -0.954028   -1.314487   -2.156803
     30          1           0       -2.470374   -0.206011    1.012941
     31          1           0       -1.556269    0.464260    2.156877
     32          1           0       -0.118063    2.477516   -1.010037
     33          1           0       -0.660849    1.484860   -2.156217
     34          1           0        1.057396    2.241932    1.013461
     35          1           0        1.180208    1.114623    2.156980
     36          1           0        2.203896   -1.136230   -1.012433
     37          1           0        1.615436   -0.167935   -2.156845
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.509403   0.000000
     3  N    2.446350   1.506150   0.000000
     4  Rh   2.974334   2.974114   2.120972   0.000000
     5  N    1.506194   2.446313   2.779930   2.121124   0.000000
     6  N    4.466048   4.871726   4.234330   2.120740   3.086428
     7  C    4.985345   5.285454   4.872236   2.974206   3.555995
     8  C    5.122101   4.984894   4.466321   2.974135   3.935364
     9  N    3.935096   3.555412   3.086827   2.121032   3.044407
    10  N    4.872602   4.466677   3.087213   2.121143   4.234903
    11  C    5.285267   4.984431   3.554895   2.974173   4.872192
    12  C    4.985040   5.121529   3.934428   2.974390   4.466585
    13  N    3.555816   3.935068   3.044069   2.121036   3.086831
    14  H    5.741746   5.562013   5.231649   3.951698   4.604823
    15  H    5.824377   5.554216   4.768808   3.287173   4.696088
    16  H    6.032585   6.374189   5.913909   3.951555   4.572013
    17  H    4.610046   5.102892   5.004457   3.287741   3.165031
    18  H    6.374052   6.031632   4.570904   3.951851   5.914146
    19  H    5.101765   4.608051   3.162839   3.286865   5.003486
    20  H    5.561740   5.740725   4.603447   3.951779   5.231600
    21  H    5.554982   5.824336   4.695582   3.287829   4.769756
    22  H    2.159055   1.090504   2.145517   3.951687   3.411603
    23  H    2.160861   1.090448   2.112869   3.287136   2.742304
    24  H    1.090505   2.159118   3.411653   3.951795   2.145509
    25  H    1.090463   2.160927   2.742432   3.287710   2.112918
    26  H    2.070841   2.816835   3.356950   2.678277   1.019846
    27  H    2.072092   3.315693   3.616354   2.700005   1.019790
    28  H    2.816271   2.070746   1.019827   2.677789   3.356196
    29  H    3.315794   2.072043   1.019758   2.700086   3.616721
    30  H    3.311686   3.631898   2.843446   2.677978   3.296481
    31  H    3.748368   4.468279   3.835127   2.699919   3.136542
    32  H    5.611009   5.314609   4.015039   2.678069   4.758513
    33  H    5.212087   4.513877   3.100949   2.700190   4.739916
    34  H    5.313825   5.610459   4.758318   2.677844   4.014060
    35  H    4.511913   5.210107   4.738688   2.699482   3.098570
    36  H    3.632464   3.312325   3.297555   2.678260   2.843967
    37  H    4.467720   3.747270   3.136173   2.699970   3.835102
                    6          7          8          9         10
     6  N    0.000000
     7  C    1.506183   0.000000
     8  C    2.446431   1.509405   0.000000
     9  N    2.779845   2.446372   1.506188   0.000000
    10  N    3.044087   3.934727   3.555351   3.087006   0.000000
    11  C    3.935699   5.122249   4.985051   4.466308   1.506127
    12  C    3.556586   4.985834   5.285917   4.872506   2.446123
    13  N    3.086680   4.466458   4.872184   4.234703   2.779873
    14  H    3.411684   2.159075   1.090504   2.145544   4.571395
    15  H    2.742658   2.160891   1.090435   2.112832   3.163690
    16  H    2.145514   1.090502   2.159113   3.411665   4.603666
    17  H    2.112789   1.090425   2.160825   2.742484   4.695929
    18  H    4.605520   5.742184   5.562431   5.231807   2.145486
    19  H    4.696031   5.824104   5.553850   4.768217   2.112858
    20  H    4.572635   6.033115   6.374651   5.914167   3.411498
    21  H    3.165770   4.610603   5.103386   5.004747   2.741792
    22  H    5.913587   6.374214   6.032077   4.571385   5.232008
    23  H    5.003375   5.102275   4.608972   3.163799   4.769221
    24  H    5.231198   5.562313   5.741580   4.604334   5.914356
    25  H    4.768976   5.555026   5.824681   4.696112   5.004615
    26  H    3.296767   3.312596   3.632695   2.844016   4.758904
    27  H    3.135835   3.748099   4.468186   3.835210   4.739436
    28  H    4.757906   5.610598   5.314033   4.014476   3.297639
    29  H    4.739352   5.211418   4.513138   3.100071   3.136652
    30  H    4.014101   5.314026   5.610688   4.758431   3.357279
    31  H    3.099028   4.512628   5.210826   4.739335   3.615964
    32  H    2.843149   3.631871   3.312662   3.298196   1.019842
    33  H    3.834332   4.466642   3.746295   3.135847   1.019772
    34  H    1.019845   2.070828   2.817175   3.357051   2.843520
    35  H    1.019778   2.072052   3.315693   3.616067   3.834946
    36  H    3.356431   2.816614   2.070750   1.019844   4.014848
    37  H    3.616483   3.315724   2.072016   1.019776   3.099971
                   11         12         13         14         15
    11  C    0.000000
    12  C    1.509399   0.000000
    13  N    2.446464   1.506164   0.000000
    14  H    6.032228   6.374671   5.914028   0.000000
    15  H    4.609181   5.102777   5.003842   1.757910   0.000000
    16  H    5.741568   5.562644   5.231442   2.534320   2.497517
    17  H    5.824931   5.555656   4.769579   2.497400   3.071617
    18  H    1.090508   2.159084   3.411723   6.582920   4.999408
    19  H    1.090429   2.160985   2.742656   6.556593   5.258058
    20  H    2.159140   1.090498   2.145528   7.462849   6.183479
    21  H    2.160696   1.090436   2.112751   6.184090   4.861710
    22  H    5.561428   5.741028   4.604546   6.582495   6.557008
    23  H    5.553838   5.823941   4.695812   4.998910   5.258360
    24  H    6.374028   6.032333   4.571865   6.214724   6.556365
    25  H    5.102524   4.609435   3.164655   6.556789   6.427113
    26  H    5.610934   5.314521   4.014531   4.089875   4.554210
    27  H    5.211080   4.513049   3.099510   5.155714   5.220215
    28  H    3.311380   3.631057   2.842999   6.149638   5.519235
    29  H    3.746515   4.466915   3.834720   5.188867   4.691806
    30  H    2.817302   2.070902   1.019832   6.616514   5.784694
    31  H    3.315664   2.071958   1.019769   6.223429   5.438952
    32  H    2.070669   2.815698   3.355694   4.314695   2.696241
    33  H    2.072103   3.315736   3.616972   4.634668   3.268802
    34  H    3.632969   3.312893   3.296625   3.800265   2.719127
    35  H    4.468699   3.748938   3.136080   4.173642   3.710142
    36  H    5.314219   5.611224   4.758735   2.314643   2.924004
    37  H    4.512627   5.211212   4.739392   2.508707   2.295853
                   16         17         18         19         20
    16  H    0.000000
    17  H    1.757919   0.000000
    18  H    6.215027   6.557284   0.000000
    19  H    6.555991   6.426942   1.757884   0.000000
    20  H    6.583342   6.558539   2.534217   2.497841   0.000000
    21  H    5.000188   5.260472   2.497395   3.071605   1.757963
    22  H    7.462396   6.183578   6.581863   4.997896   6.213660
    23  H    6.182990   4.861195   6.556695   5.257415   6.555665
    24  H    6.582957   4.999795   7.462267   6.182430   6.582378
    25  H    6.557839   5.259769   6.183173   4.860726   4.998910
    26  H    4.314587   2.696443   6.616953   5.784344   6.149789
    27  H    4.636496   3.271704   6.223765   5.439035   5.188474
    28  H    6.616241   5.784989   4.313254   2.694556   4.087700
    29  H    6.223795   5.440166   4.634849   3.268683   5.153877
    30  H    6.149328   5.519664   3.800341   2.719270   2.314689
    31  H    5.187905   4.692145   4.173613   3.710133   2.508913
    32  H    4.088363   4.553695   2.314861   2.924150   3.798955
    33  H    5.153483   5.219325   2.508438   2.296376   4.173917
    34  H    2.314502   2.923924   4.090609   4.554186   4.314900
    35  H    2.509032   2.295595   5.156658   5.220334   4.637424
    36  H    3.799808   2.718296   6.149928   5.518794   6.616873
    37  H    4.173725   3.709874   5.188458   4.690716   6.223557
                   21         22         23         24         25
    21  H    0.000000
    22  H    6.556293   0.000000
    23  H    6.426921   1.757909   0.000000
    24  H    6.557931   2.534191   2.497563   0.000000
    25  H    5.259351   2.497590   3.071690   1.757908   0.000000
    26  H    5.520380   3.799899   2.718456   2.314590   2.924079
    27  H    4.692492   4.173720   3.709803   2.508875   2.295910
    28  H    4.552886   2.314856   2.924145   3.799483   2.717829
    29  H    5.219439   2.508547   2.296159   4.173839   3.709807
    30  H    2.923987   4.089148   4.553454   4.313612   2.695352
    31  H    2.295523   5.155881   5.220260   4.636835   3.271816
    32  H    2.716677   6.150187   5.520047   6.616805   5.784992
    33  H    3.709204   5.189731   4.692459   6.224510   5.440786
    34  H    2.696803   6.616325   5.784415   6.149241   5.519294
    35  H    3.272877   6.222703   5.438284   5.187378   4.691158
    36  H    5.785678   4.314175   2.695646   4.089350   4.554199
    37  H    5.439951   4.635573   3.270160   5.154987   5.220054
                   26         27         28         29         30
    26  H    0.000000
    27  H    1.610378   0.000000
    28  H    4.102186   4.019866   0.000000
    29  H    4.021249   4.521823   1.610467   0.000000
    30  H    4.293824   3.361758   2.352008   3.684468   0.000000
    31  H    4.048035   2.813494   3.684350   4.704728   1.610416
    32  H    5.178771   5.170901   4.294782   4.048851   4.102088
    33  H    5.171878   5.391849   3.364574   2.814658   4.022063
    34  H    4.294112   4.047194   5.177923   5.171510   4.293901
    35  H    3.361513   2.812191   5.170324   5.391128   4.047178
    36  H    2.353071   3.685057   4.294730   3.363606   5.178441
    37  H    3.685056   4.704884   4.047932   2.813668   5.171348
                   31         32         33         34         35
    31  H    0.000000
    32  H    4.018828   0.000000
    33  H    4.521745   1.610500   0.000000
    34  H    3.361363   2.351967   3.684071   0.000000
    35  H    2.812699   3.684153   4.704278   1.610448   0.000000
    36  H    5.171551   4.295423   4.047854   4.102522   4.019882
    37  H    5.391436   3.364312   2.813042   4.021158   4.521445
                   36         37
    36  H    0.000000
    37  H    1.610453   0.000000
 Stoichiometry    C6H24N6Rh(3+)
 Framework group  C1[X(C6H24N6Rh)]
 Deg. of freedom   105
 Full point group                 C1      NOp   1
 RotChk:  IX=3 Diff= 1.97D-12
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -0.477057   -2.838512    0.749399
      2          6           0       -0.644501   -2.804721   -0.750307
      3          7           0       -1.078110   -1.418833   -1.150041
      4         45           0        0.000089    0.000061    0.000067
      5          7           0        0.453307   -1.723778    1.149911
      6          7           0        1.266075    1.253712    1.150361
      7          6           0        2.696725    1.006065    0.749740
      8          6           0        2.751409    0.844521   -0.749999
      9          7           0        1.768045   -0.223885   -1.150132
     10          7           0       -0.689823    1.643865   -1.149359
     11          6           0       -2.107175    1.960270   -0.750083
     12          6           0       -2.220254    1.831808    0.749582
     13          7           0       -1.719216    0.469090    1.150195
     14          1           0        3.755788    0.580941   -1.083089
     15          1           0        2.469560    1.766040   -1.260306
     16          1           0        3.332409    1.827215    1.082628
     17          1           0        3.035082    0.103721    1.259954
     18          1           0       -2.381509    2.961788   -1.083117
     19          1           0       -2.763622    1.255173   -1.260915
     20          1           0       -3.249350    1.971540    1.082181
     21          1           0       -1.608202    2.576063    1.260000
     22          1           0       -1.375014   -3.542663   -1.083457
     23          1           0        0.294432   -3.021358   -1.260748
     24          1           0       -0.084021   -3.799802    1.082032
     25          1           0       -1.427546   -2.680185    1.259901
     26          1           0        1.414120   -2.036836    1.012360
     27          1           0        0.377143   -1.580124    2.156655
     28          1           0       -2.085465   -1.340699   -1.011556
     29          1           0       -0.953499   -1.314871   -2.156803
     30          1           0       -2.470291   -0.207005    1.012941
     31          1           0       -1.556456    0.463634    2.156877
     32          1           0       -0.119060    2.477468   -1.010037
     33          1           0       -0.661446    1.484594   -2.156217
     34          1           0        1.056494    2.242357    1.013461
     35          1           0        1.179760    1.115098    2.156980
     36          1           0        2.204353   -1.135343   -1.012433
     37          1           0        1.615503   -0.167285   -2.156845
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           0.6901150           0.6900165           0.4769981
 Leave Link  202 at Thu Jul  8 19:22:29 2021, MaxMem= 10737418240 cpu:               0.6 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:      14     15     16     17     18     19     20     21     22     23
 Centers:      24     25     26     27     28     29     30     31     32     33
 Centers:      34     35     36     37
 S 4 1.00
     Exponent=  1.3010000000D+01 Coefficients=  1.9685000000D-02
     Exponent=  1.9620000000D+00 Coefficients=  1.3797700000D-01
     Exponent=  4.4460000000D-01 Coefficients=  4.7814800000D-01
     Exponent=  1.2200000000D-01 Coefficients=  5.0124000000D-01
 S 1 1.00
     Exponent=  1.2200000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.9740000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  7.2700000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      7      8     11     12
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients=  6.9200000000D-04
     Exponent=  1.0000000000D+03 Coefficients=  5.3290000000D-03
     Exponent=  2.2800000000D+02 Coefficients=  2.7077000000D-02
     Exponent=  6.4710000000D+01 Coefficients=  1.0171800000D-01
     Exponent=  2.1060000000D+01 Coefficients=  2.7474000000D-01
     Exponent=  7.4950000000D+00 Coefficients=  4.4856400000D-01
     Exponent=  2.7970000000D+00 Coefficients=  2.8507400000D-01
     Exponent=  5.2150000000D-01 Coefficients=  1.5204000000D-02
     Exponent=  1.5960000000D-01 Coefficients= -3.1910000000D-03
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients= -1.4600000000D-04
     Exponent=  1.0000000000D+03 Coefficients= -1.1540000000D-03
     Exponent=  2.2800000000D+02 Coefficients= -5.7250000000D-03
     Exponent=  6.4710000000D+01 Coefficients= -2.3312000000D-02
     Exponent=  2.1060000000D+01 Coefficients= -6.3955000000D-02
     Exponent=  7.4950000000D+00 Coefficients= -1.4998100000D-01
     Exponent=  2.7970000000D+00 Coefficients= -1.2726200000D-01
     Exponent=  5.2150000000D-01 Coefficients=  5.4452900000D-01
     Exponent=  1.5960000000D-01 Coefficients=  5.8049600000D-01
 S 1 1.00
     Exponent=  1.5960000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6900000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  9.4390000000D+00 Coefficients=  3.8109000000D-02
     Exponent=  2.0020000000D+00 Coefficients=  2.0948000000D-01
     Exponent=  5.4560000000D-01 Coefficients=  5.0855700000D-01
     Exponent=  1.5170000000D-01 Coefficients=  4.6884200000D-01
 P 1 1.00
     Exponent=  1.5170000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.0410000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       3      5      6      9     10     13
 S 9 1.00
     Exponent=  9.0460000000D+03 Coefficients=  7.0000000000D-04
     Exponent=  1.3570000000D+03 Coefficients=  5.3890000000D-03
     Exponent=  3.0930000000D+02 Coefficients=  2.7406000000D-02
     Exponent=  8.7730000000D+01 Coefficients=  1.0320700000D-01
     Exponent=  2.8560000000D+01 Coefficients=  2.7872300000D-01
     Exponent=  1.0210000000D+01 Coefficients=  4.4854000000D-01
     Exponent=  3.8380000000D+00 Coefficients=  2.7823800000D-01
     Exponent=  7.4660000000D-01 Coefficients=  1.5440000000D-02
     Exponent=  2.2480000000D-01 Coefficients= -2.8640000000D-03
 S 9 1.00
     Exponent=  9.0460000000D+03 Coefficients= -1.5300000000D-04
     Exponent=  1.3570000000D+03 Coefficients= -1.2080000000D-03
     Exponent=  3.0930000000D+02 Coefficients= -5.9920000000D-03
     Exponent=  8.7730000000D+01 Coefficients= -2.4544000000D-02
     Exponent=  2.8560000000D+01 Coefficients= -6.7459000000D-02
     Exponent=  1.0210000000D+01 Coefficients= -1.5807800000D-01
     Exponent=  3.8380000000D+00 Coefficients= -1.2183100000D-01
     Exponent=  7.4660000000D-01 Coefficients=  5.4900300000D-01
     Exponent=  2.2480000000D-01 Coefficients=  5.7881500000D-01
 S 1 1.00
     Exponent=  2.2480000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.1240000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.3550000000D+01 Coefficients=  3.9919000000D-02
     Exponent=  2.9170000000D+00 Coefficients=  2.1716900000D-01
     Exponent=  7.9730000000D-01 Coefficients=  5.1031900000D-01
     Exponent=  2.1850000000D-01 Coefficients=  4.6221400000D-01
 P 1 1.00
     Exponent=  2.1850000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  5.6110000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.1700000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  2.3000000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       4
 S 7 1.00
     Exponent=  1.8466600000D+02 Coefficients=  6.9200000000D-04
     Exponent=  2.1997400000D+01 Coefficients= -3.8393000000D-02
     Exponent=  1.3761600000D+01 Coefficients=  1.7601900000D-01
     Exponent=  5.0872000000D+00 Coefficients= -6.2992500000D-01
     Exponent=  1.2294000000D+00 Coefficients=  8.4954400000D-01
     Exponent=  5.5681400000D-01 Coefficients=  4.4572900000D-01
     Exponent=  1.1406700000D-01 Coefficients=  1.8204000000D-02
 S 7 1.00
     Exponent=  1.8466600000D+02 Coefficients= -1.7800000000D-04
     Exponent=  2.1997400000D+01 Coefficients=  9.4560000000D-03
     Exponent=  1.3761600000D+01 Coefficients= -4.9472000000D-02
     Exponent=  5.0872000000D+00 Coefficients=  2.0186700000D-01
     Exponent=  1.2294000000D+00 Coefficients= -3.6980900000D-01
     Exponent=  5.5681400000D-01 Coefficients= -2.6533100000D-01
     Exponent=  1.1406700000D-01 Coefficients=  5.8915400000D-01
 S 7 1.00
     Exponent=  1.8466600000D+02 Coefficients=  8.3700000000D-04
     Exponent=  2.1997400000D+01 Coefficients= -4.0286000000D-02
     Exponent=  1.3761600000D+01 Coefficients=  1.5064900000D-01
     Exponent=  5.0872000000D+00 Coefficients= -5.2685100000D-01
     Exponent=  1.2294000000D+00 Coefficients=  1.5723820000D+00
     Exponent=  5.5681400000D-01 Coefficients= -8.8764300000D-01
     Exponent=  1.1406700000D-01 Coefficients= -1.4709450000D+00
 S 1 1.00
     Exponent=  4.1415000000D-02 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.5000000000D-02 Coefficients=  1.0000000000D+00
 P 6 1.00
     Exponent=  1.3698500000D+01 Coefficients=  3.1821000000D-02
     Exponent=  6.6247600000D+00 Coefficients= -1.9302800000D-01
     Exponent=  1.6961300000D+00 Coefficients=  5.0624200000D-01
     Exponent=  7.9735100000D-01 Coefficients=  4.9490200000D-01
     Exponent=  3.5203400000D-01 Coefficients=  1.4403000000D-01
     Exponent=  1.2334200000D-01 Coefficients=  5.6080000000D-03
 P 6 1.00
     Exponent=  1.3698500000D+01 Coefficients= -8.5830000000D-03
     Exponent=  6.6247600000D+00 Coefficients=  5.6811000000D-02
     Exponent=  1.6961300000D+00 Coefficients= -1.8017200000D-01
     Exponent=  7.9735100000D-01 Coefficients= -2.0341100000D-01
     Exponent=  3.5203400000D-01 Coefficients=  8.4818000000D-02
     Exponent=  1.2334200000D-01 Coefficients=  6.0105700000D-01
 P 6 1.00
     Exponent=  1.3698500000D+01 Coefficients= -1.5164000000D-02
     Exponent=  6.6247600000D+00 Coefficients=  1.0112500000D-01
     Exponent=  1.6961300000D+00 Coefficients= -3.4564100000D-01
     Exponent=  7.9735100000D-01 Coefficients= -3.4548500000D-01
     Exponent=  3.5203400000D-01 Coefficients=  4.2210200000D-01
     Exponent=  1.2334200000D-01 Coefficients=  7.3047900000D-01
 P 1 1.00
     Exponent=  4.3130000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.5100000000D-02 Coefficients=  1.0000000000D+00
 D 5 1.00
     Exponent=  1.8737000000D+01 Coefficients=  6.4810000000D-03
     Exponent=  1.1704600000D+01 Coefficients= -1.3942000000D-02
     Exponent=  2.2555800000D+00 Coefficients=  2.5068200000D-01
     Exponent=  9.4941100000D-01 Coefficients=  4.5111100000D-01
     Exponent=  3.6616400000D-01 Coefficients=  3.8399900000D-01
 D 5 1.00
     Exponent=  1.8737000000D+01 Coefficients= -7.5900000000D-03
     Exponent=  1.1704600000D+01 Coefficients=  1.6294000000D-02
     Exponent=  2.2555800000D+00 Coefficients= -3.3477300000D-01
     Exponent=  9.4941100000D-01 Coefficients= -4.4639600000D-01
     Exponent=  3.6616400000D-01 Coefficients=  3.2996700000D-01
 D 1 1.00
     Exponent=  1.2397700000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  4.2000000000D-02 Coefficients=  1.0000000000D+00
 F 1 1.00
     Exponent=  9.9360000000D-01 Coefficients=  1.0000000000D+00
 F 1 1.00
     Exponent=  3.2220000000D-01 Coefficients=  1.0000000000D+00
 ****
 ======================================================================================================
                                       Pseudopotential Parameters
 ======================================================================================================
  Center     Atomic      Valence      Angular      Power
  Number     Number     Electrons     Momentum     of R      Exponent        Coefficient   SO-Coeffient
 ======================================================================================================
    1          6
                                   No pseudopotential on this center.
    2          6
                                   No pseudopotential on this center.
    3          7
                                   No pseudopotential on this center.
    4         45           17
                                      G and up 
                                                     2        1.0000000        0.00000000    0.00000000
                                      S - G
                                                     2       12.1948160      225.31205400    0.00000000
                                                     2        5.4051370       32.44158200    0.00000000
                                      P - G
                                                     2       11.2807550       52.87282600    0.00000000
                                                     2       10.9272480      105.74552600    0.00000000
                                                     2        5.0901170        8.61934400    0.00000000
                                                     2        4.8518320       16.97345900    0.00000000
                                      D - G
                                                     2        9.1363370       25.10850100    0.00000000
                                                     2        8.9648080       37.69573100    0.00000000
                                                     2        3.6436120        4.20258400    0.00000000
                                                     2        3.6360070        6.29279000    0.00000000
                                      F - G
                                                     2        8.6162280       -9.67356800    0.00000000
                                                     2        8.6294350      -12.89984700    0.00000000
    5          7
                                   No pseudopotential on this center.
    6          7
                                   No pseudopotential on this center.
    7          6
                                   No pseudopotential on this center.
    8          6
                                   No pseudopotential on this center.
    9          7
                                   No pseudopotential on this center.
   10          7
                                   No pseudopotential on this center.
   11          6
                                   No pseudopotential on this center.
   12          6
                                   No pseudopotential on this center.
   13          7
                                   No pseudopotential on this center.
   14          1
                                   No pseudopotential on this center.
   15          1
                                   No pseudopotential on this center.
   16          1
                                   No pseudopotential on this center.
   17          1
                                   No pseudopotential on this center.
   18          1
                                   No pseudopotential on this center.
   19          1
                                   No pseudopotential on this center.
   20          1
                                   No pseudopotential on this center.
   21          1
                                   No pseudopotential on this center.
   22          1
                                   No pseudopotential on this center.
   23          1
                                   No pseudopotential on this center.
   24          1
                                   No pseudopotential on this center.
   25          1
                                   No pseudopotential on this center.
   26          1
                                   No pseudopotential on this center.
   27          1
                                   No pseudopotential on this center.
   28          1
                                   No pseudopotential on this center.
   29          1
                                   No pseudopotential on this center.
   30          1
                                   No pseudopotential on this center.
   31          1
                                   No pseudopotential on this center.
   32          1
                                   No pseudopotential on this center.
   33          1
                                   No pseudopotential on this center.
   34          1
                                   No pseudopotential on this center.
   35          1
                                   No pseudopotential on this center.
   36          1
                                   No pseudopotential on this center.
   37          1
                                   No pseudopotential on this center.
 ======================================================================================================
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  50 primitive shells out of 585 were deleted.
 There are   580 symmetry adapted cartesian basis functions of A   symmetry.
 There are   546 symmetry adapted basis functions of A   symmetry.
   546 basis functions,   991 primitive gaussians,   580 cartesian basis functions
    58 alpha electrons       58 beta electrons
       nuclear repulsion energy      1198.1851107110 Hartrees.
 IExCor=  402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX=  0.200000
 ScaDFX=  0.800000  0.720000  1.000000  0.810000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=141
 NAtoms=   37 NActive=   37 NUniq=   37 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D3(BJ) Dispersion energy=       -0.0805938414 Hartrees.
 Nuclear repulsion after empirical dispersion term =     1198.1045168696 Hartrees.
 Leave Link  301 at Thu Jul  8 19:22:32 2021, MaxMem= 10737418240 cpu:              41.2 elap:               2.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   29890 NPrTT=  144244 LenC2=   29888 LenP2D=  115189.
 LDataN:  DoStor=T MaxTD1= 7 Len=  274
 NBasis=   546 RedAO= T EigKep=  1.12D-06  NBF=   546
 NBsUse=   546 1.00D-06 EigRej= -1.00D+00 NBFU=   546
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Defaulting to unpruned grid for atomic number  45.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   580   580   580   580   580 MxSgAt=    37 MxSgA2=    37.
 Leave Link  302 at Thu Jul  8 19:22:34 2021, MaxMem= 10737418240 cpu:              31.2 elap:               2.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Thu Jul  8 19:22:35 2021, MaxMem= 10737418240 cpu:               4.0 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "36a_RhEn3-lel3_STD_B3LYPDBJ-augccpVDZr.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=    -0.000000   -0.000000    0.000000
         Rot=    1.000000   -0.000000    0.000000   -0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Thu Jul  8 19:22:37 2021, MaxMem= 10737418240 cpu:              24.6 elap:               1.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot= 10737418240 LenX= 10736730423 LenY= 10736393443
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf= 990000000 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=         0 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 E= -681.122774424126    
 DIIS: error= 5.53D-02 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -681.122774424126     IErMin= 1 ErrMin= 5.53D-02
 ErrMax= 5.53D-02  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.65D-02 BMatP= 9.65D-02
 IDIUse=3 WtCom= 4.47D-01 WtEn= 5.53D-01
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.230 Goal=   None    Shift=    0.000
 GapD=    0.230 DampG=1.000 DampE=0.250 DampFc=0.2500 IDamp=-1.
 Damping current iteration by 2.50D-01
 RMSDP=3.73D-02 MaxDP=1.33D+01              OVMax= 1.19D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  6.76D-03    CP:  1.25D+00
 E= -681.125895097918     Delta-E=       -0.003120673792 Rises=F Damp=T
 DIIS: error= 4.16D-02 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -681.125895097918     IErMin= 2 ErrMin= 4.16D-02
 ErrMax= 4.16D-02  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.43D-02 BMatP= 9.65D-02
 IDIUse=3 WtCom= 5.84D-01 WtEn= 4.16D-01
 Coeff-Com: -0.293D+01 0.393D+01
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:     -0.171D+01 0.271D+01
 Gap=     0.234 Goal=   None    Shift=    0.000
 RMSDP=3.12D-02 MaxDP=1.14D+01 DE=-3.12D-03 OVMax= 1.70D-02

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  9.19D-03    CP:  2.08D+00  3.00D+00
 E= -681.133049571076     Delta-E=       -0.007154473158 Rises=F Damp=F
 DIIS: error= 3.23D-03 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -681.133049571076     IErMin= 3 ErrMin= 3.23D-03
 ErrMax= 3.23D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.16D-03 BMatP= 5.43D-02
 IDIUse=3 WtCom= 9.68D-01 WtEn= 3.23D-02
 Coeff-Com: -0.178D+01 0.236D+01 0.411D+00
 Coeff-En:   0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.172D+01 0.229D+01 0.430D+00
 Gap=     0.231 Goal=   None    Shift=    0.000
 RMSDP=1.56D-03 MaxDP=6.14D-01 DE=-7.15D-03 OVMax= 1.34D-02

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  7.15D-04    CP:  2.05D+00  3.00D+00  8.82D-01
 E= -681.135264246498     Delta-E=       -0.002214675422 Rises=F Damp=F
 DIIS: error= 5.30D-04 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -681.135264246498     IErMin= 4 ErrMin= 5.30D-04
 ErrMax= 5.30D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.05D-04 BMatP= 3.16D-03
 IDIUse=3 WtCom= 9.95D-01 WtEn= 5.30D-03
 Coeff-Com: -0.595D+00 0.792D+00 0.235D+00 0.568D+00
 Coeff-En:   0.000D+00 0.000D+00 0.338D-01 0.966D+00
 Coeff:     -0.592D+00 0.788D+00 0.234D+00 0.570D+00
 Gap=     0.231 Goal=   None    Shift=    0.000
 RMSDP=3.82D-04 MaxDP=1.51D-01 DE=-2.21D-03 OVMax= 2.08D-03

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  2.69D-05    CP:  2.06D+00  3.00D+00  9.11D-01  8.13D-01
 E= -681.135348261149     Delta-E=       -0.000084014651 Rises=F Damp=F
 DIIS: error= 3.63D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -681.135348261149     IErMin= 5 ErrMin= 3.63D-05
 ErrMax= 3.63D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.19D-06 BMatP= 1.05D-04
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.118D+00 0.157D+00 0.769D-01 0.251D+00 0.633D+00
 Coeff:     -0.118D+00 0.157D+00 0.769D-01 0.251D+00 0.633D+00
 Gap=     0.231 Goal=   None    Shift=    0.000
 RMSDP=4.45D-05 MaxDP=1.74D-02 DE=-8.40D-05 OVMax= 1.44D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  7.69D-06    CP:  2.06D+00  3.00D+00  9.15D-01  7.94D-01  9.17D-01
 E= -681.135349296023     Delta-E=       -0.000001034874 Rises=F Damp=F
 DIIS: error= 6.56D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -681.135349296023     IErMin= 6 ErrMin= 6.56D-06
 ErrMax= 6.56D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.93D-08 BMatP= 1.19D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.466D-02-0.630D-02 0.112D-01 0.580D-01 0.257D+00 0.676D+00
 Coeff:      0.466D-02-0.630D-02 0.112D-01 0.580D-01 0.257D+00 0.676D+00
 Gap=     0.231 Goal=   None    Shift=    0.000
 RMSDP=8.59D-06 MaxDP=3.31D-03 DE=-1.03D-06 OVMax= 2.90D-05

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  2.10D-06    CP:  2.06D+00  3.00D+00  9.16D-01  7.91D-01  9.24D-01
                    CP:  9.69D-01
 E= -681.135349340832     Delta-E=       -0.000000044809 Rises=F Damp=F
 DIIS: error= 2.07D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -681.135349340832     IErMin= 7 ErrMin= 2.07D-06
 ErrMax= 2.07D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.83D-09 BMatP= 5.93D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.637D-02-0.851D-02 0.131D-02 0.140D-01 0.817D-01 0.314D+00
 Coeff-Com:  0.591D+00
 Coeff:      0.637D-02-0.851D-02 0.131D-02 0.140D-01 0.817D-01 0.314D+00
 Coeff:      0.591D+00
 Gap=     0.231 Goal=   None    Shift=    0.000
 RMSDP=2.67D-06 MaxDP=1.06D-03 DE=-4.48D-08 OVMax= 1.41D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  3.83D-07    CP:  2.06D+00  3.00D+00  9.15D-01  7.93D-01  9.28D-01
                    CP:  9.68D-01  8.50D-01
 E= -681.135349345633     Delta-E=       -0.000000004801 Rises=F Damp=F
 DIIS: error= 7.78D-07 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -681.135349345633     IErMin= 8 ErrMin= 7.78D-07
 ErrMax= 7.78D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.89D-10 BMatP= 5.83D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.241D-02-0.321D-02-0.636D-03 0.190D-03 0.994D-02 0.767D-01
 Coeff-Com:  0.306D+00 0.609D+00
 Coeff:      0.241D-02-0.321D-02-0.636D-03 0.190D-03 0.994D-02 0.767D-01
 Coeff:      0.306D+00 0.609D+00
 Gap=     0.231 Goal=   None    Shift=    0.000
 RMSDP=1.54D-07 MaxDP=3.49D-05 DE=-4.80D-09 OVMax= 3.01D-06

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  9.79D-08    CP:  2.06D+00  3.00D+00  9.15D-01  7.93D-01  9.27D-01
                    CP:  9.72D-01  8.56D-01  7.76D-01
 E= -681.135349346271     Delta-E=       -0.000000000637 Rises=F Damp=F
 DIIS: error= 1.15D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -681.135349346271     IErMin= 9 ErrMin= 1.15D-07
 ErrMax= 1.15D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.77D-12 BMatP= 5.89D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.120D-03-0.159D-03-0.112D-03-0.512D-03-0.102D-02 0.182D-02
 Coeff-Com:  0.313D-01 0.913D-01 0.877D+00
 Coeff:      0.120D-03-0.159D-03-0.112D-03-0.512D-03-0.102D-02 0.182D-02
 Coeff:      0.313D-01 0.913D-01 0.877D+00
 Gap=     0.231 Goal=   None    Shift=    0.000
 RMSDP=2.45D-07 MaxDP=9.66D-05 DE=-6.37D-10 OVMax= 5.09D-07

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  1.61D-08    CP:  2.06D+00  3.00D+00  9.15D-01  7.93D-01  9.27D-01
                    CP:  9.73D-01  8.61D-01  7.79D-01  9.26D-01
 E= -681.135349346200     Delta-E=        0.000000000071 Rises=F Damp=F
 DIIS: error= 2.62D-08 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin= 9 EnMin= -681.135349346271     IErMin=10 ErrMin= 2.62D-08
 ErrMax= 2.62D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.14D-13 BMatP= 6.77D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.249D-04 0.335D-04-0.159D-04-0.176D-03-0.629D-03-0.157D-02
 Coeff-Com:  0.451D-03 0.819D-02 0.205D+00 0.789D+00
 Coeff:     -0.249D-04 0.335D-04-0.159D-04-0.176D-03-0.629D-03-0.157D-02
 Coeff:      0.451D-03 0.819D-02 0.205D+00 0.789D+00
 Gap=     0.231 Goal=   None    Shift=    0.000
 RMSDP=2.78D-08 MaxDP=1.09D-05 DE= 7.09D-11 OVMax= 9.71D-08

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  3.67D-09    CP:  2.06D+00  3.00D+00  9.15D-01  7.93D-01  9.27D-01
                    CP:  9.73D-01  8.62D-01  7.79D-01  9.35D-01  1.02D+00
 E= -681.135349346240     Delta-E=       -0.000000000041 Rises=F Damp=F
 DIIS: error= 5.37D-09 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin= 9 EnMin= -681.135349346271     IErMin=11 ErrMin= 5.37D-09
 ErrMax= 5.37D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.25D-14 BMatP= 3.14D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.212D-04 0.284D-04-0.325D-05-0.782D-04-0.325D-03-0.101D-02
 Coeff-Com: -0.142D-02 0.353D-04 0.716D-01 0.458D+00 0.473D+00
 Coeff:     -0.212D-04 0.284D-04-0.325D-05-0.782D-04-0.325D-03-0.101D-02
 Coeff:     -0.142D-02 0.353D-04 0.716D-01 0.458D+00 0.473D+00
 Gap=     0.231 Goal=   None    Shift=    0.000
 RMSDP=3.81D-09 MaxDP=1.46D-06 DE=-4.07D-11 OVMax= 5.36D-08

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  9.84D-10    CP:  2.06D+00  3.00D+00  9.15D-01  7.93D-01  9.27D-01
                    CP:  9.73D-01  8.62D-01  7.79D-01  9.35D-01  1.03D+00
                    CP:  9.40D-01
 E= -681.135349346236     Delta-E=        0.000000000005 Rises=F Damp=F
 DIIS: error= 1.48D-09 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin= 9 EnMin= -681.135349346271     IErMin=12 ErrMin= 1.48D-09
 ErrMax= 1.48D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.81D-15 BMatP= 4.25D-14
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.565D-05 0.753D-05 0.155D-05-0.515D-05-0.419D-04-0.171D-03
 Coeff-Com: -0.768D-03-0.139D-02-0.482D-02 0.708D-01 0.247D+00 0.689D+00
 Coeff:     -0.565D-05 0.753D-05 0.155D-05-0.515D-05-0.419D-04-0.171D-03
 Coeff:     -0.768D-03-0.139D-02-0.482D-02 0.708D-01 0.247D+00 0.689D+00
 Gap=     0.231 Goal=   None    Shift=    0.000
 RMSDP=1.76D-09 MaxDP=6.77D-07 DE= 4.55D-12 OVMax= 1.28D-08

 SCF Done:  E(RB3LYP) =  -681.135349346     A.U. after   12 cycles
            NFock= 12  Conv=0.18D-08     -V/T= 2.1210
 KE= 6.075957499750D+02 PE=-3.904484862477D+03 EE= 1.417649246287D+03
 Leave Link  502 at Thu Jul  8 19:32:55 2021, MaxMem= 10737418240 cpu:            9870.1 elap:             617.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   546
 NBasis=   546 NAE=    58 NBE=    58 NFC=     0 NFV=     0
 NROrb=    546 NOA=    58 NOB=    58 NVA=   488 NVB=   488

 **** Warning!!: The largest alpha MO coefficient is  0.43955780D+03

 Leave Link  801 at Thu Jul  8 19:32:56 2021, MaxMem= 10737418240 cpu:               1.7 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
 Defaulting to unpruned grid for atomic number  45.
        11517 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=   10737418240 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.085645
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          37
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   29890 NPrTT=  144244 LenC2=   29891 LenP2D=  144244.
 LDataN:  DoStor=T MaxTD1= 8 Len=  415
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 4.72D-13 8.33D-09 XBig12= 1.00D+00 3.18D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 4.72D-13 8.33D-09 XBig12= 2.67D-01 8.47D-02.
     11 vectors produced by pass  2 Test12= 4.72D-13 8.33D-09 XBig12= 9.63D-02 6.32D-02.
     11 vectors produced by pass  3 Test12= 4.72D-13 8.33D-09 XBig12= 2.11D-02 1.93D-02.
     11 vectors produced by pass  4 Test12= 4.72D-13 8.33D-09 XBig12= 3.14D-03 1.08D-02.
     11 vectors produced by pass  5 Test12= 4.72D-13 8.33D-09 XBig12= 9.00D-04 7.98D-03.
     11 vectors produced by pass  6 Test12= 4.72D-13 8.33D-09 XBig12= 2.58D-04 7.67D-03.
     11 vectors produced by pass  7 Test12= 4.72D-13 8.33D-09 XBig12= 2.96D-05 1.84D-03.
     11 vectors produced by pass  8 Test12= 4.72D-13 8.33D-09 XBig12= 2.01D-06 4.77D-04.
     11 vectors produced by pass  9 Test12= 4.72D-13 8.33D-09 XBig12= 1.26D-07 1.06D-04.
      8 vectors produced by pass 10 Test12= 4.72D-13 8.33D-09 XBig12= 6.10D-09 2.35D-05.
      4 vectors produced by pass 11 Test12= 4.72D-13 8.33D-09 XBig12= 9.84D-11 1.83D-06.
      1 vectors produced by pass 12 Test12= 4.72D-13 8.33D-09 XBig12= 2.89D-12 3.39D-07.
      1 vectors produced by pass 13 Test12= 4.72D-13 8.33D-09 XBig12= 3.75D-14 4.10D-08.
      1 vectors produced by pass 14 Test12= 4.72D-13 8.33D-09 XBig12= 7.17D-16 9.41D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 3.55D-14
 Solved reduced A of dimension   125 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.085645:
                1             2             3 
      1  0.155699D+03
      2 -0.260023D-02  0.155695D+03
      3 -0.278085D-03 -0.299375D-02  0.128198D+03
 Isotropic polarizability for W=    0.085645      146.53 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.085645:
                 1             2             3 
      1   0.607692D+02  0.911247D+02  0.954356D-02
      2  -0.607849D+02 -0.911226D+02 -0.173288D-01
      3   0.157817D-01 -0.212705D-02  0.778525D-02
      4   0.911061D+02 -0.608112D+02  0.255673D-02
      5  -0.156189D-01  0.572978D+01  0.432801D-02
      6  -0.572497D+01 -0.373496D-01 -0.130893D-01
 Dipole-magnetic dipole polarizability for W=    0.085645:
                 1             2             3 
      1  -0.288392D+01  0.413330D-01 -0.300510D-02
      2  -0.149853D-01 -0.286738D+01  0.260873D-02
      3  -0.115324D-01 -0.116938D-01 -0.108108D+01
 DQ contribution to OR G for W=    0.085645:
                 1             2             3 
      1   0.572723D+01 -0.200208D-01  0.109622D-01
      2   0.251625D-01  0.572752D+01 -0.114537D-01
      3  -0.186031D-01  0.262356D-01 -0.114548D+02
 Optical Rotation G' tensor for W=    0.085645:
                 1             2             3 
      1  -0.542422D+00 -0.594422D-02  0.267928D-02
      2  -0.594422D-02 -0.550615D+00  0.411901D-02
      3   0.267928D-02  0.411901D-02 -0.573934D+01
 OR G Eigenvalues:    -5.7393    -0.5537    -0.5393  Iso=     2.2775
 Eigenvectors:
   (1)  -0.000516  -0.000794   1.000000
   (2)   0.465016   0.885302   0.000943
   (3)   0.885302  -0.465016   0.000088
 w=    0.085645 a.u., Optical Rotation Beta=      2.2775 au.
 Molar Mass =    283.2013 grams/mole, [Alpha] ( 5320.0 A) =      381.40 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=  149331 ScalPx= 1.30D+02
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  149331 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 8.33D+02
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 7.86D-14 2.78D-09 XBig12= 1.00D+00 4.32D-01.
     30 vectors produced by pass  1 Test12= 7.86D-14 2.78D-09 XBig12= 1.00D+00 4.87D-01.
     30 vectors produced by pass  2 Test12= 7.86D-14 2.78D-09 XBig12= 1.02D-02 1.62D-02.
     30 vectors produced by pass  3 Test12= 7.86D-14 2.78D-09 XBig12= 1.66D-03 5.59D-03.
     30 vectors produced by pass  4 Test12= 7.86D-14 2.78D-09 XBig12= 3.79D-05 1.07D-03.
     30 vectors produced by pass  5 Test12= 7.86D-14 2.78D-09 XBig12= 3.29D-07 1.04D-04.
     30 vectors produced by pass  6 Test12= 7.86D-14 2.78D-09 XBig12= 3.67D-09 1.00D-05.
     30 vectors produced by pass  7 Test12= 7.86D-14 2.78D-09 XBig12= 1.61D-11 6.15D-07.
      9 vectors produced by pass  8 Test12= 7.86D-14 2.78D-09 XBig12= 4.54D-14 4.05D-08.
      2 vectors produced by pass  9 Test12= 7.86D-14 2.78D-09 XBig12= 1.61D-14 2.97D-08.
      1 vectors produced by pass 10 Test12= 7.86D-14 2.78D-09 XBig12= 1.25D-15 3.83D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 2.00D-15
 Solved reduced A of dimension   252 with    30 vectors.
 ECPInt:  NShTT=   29890 NPrTT=  144244 LenC2=   29891 LenP2D=  144244.
 LDataN:  DoStor=T MaxTD1= 8 Len=  415
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  149331 ScalPx= 4.54D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  149331 ScalPx= 4.54D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  149331 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 3.71D+03
 FullF1:  Do perturbations      1 to      30.
 ECPInt:  NShTT=   29890 NPrTT=  144244 LenC2=   29891 LenP2D=  144244.
 LDataN:  DoStor=T MaxTD1= 9 Len=  602
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.155699D+03 -0.260023D-02 -0.278085D-03
      2  -0.260023D-02  0.155695D+03 -0.299375D-02
      3  -0.278085D-03 -0.299375D-02  0.128198D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.288392D+01  0.413330D-01 -0.300510D-02
      2  -0.149853D-01 -0.286738D+01  0.260873D-02
      3  -0.115324D-01 -0.116938D-01 -0.108108D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.607692D+02  0.911247D+02  0.954356D-02
      2  -0.607849D+02 -0.911226D+02 -0.173288D-01
      3   0.157817D-01 -0.212705D-02  0.778525D-02
      4   0.911061D+02 -0.608112D+02  0.255673D-02
      5  -0.156189D-01  0.572978D+01  0.432801D-02
      6  -0.572497D+01 -0.373496D-01 -0.130893D-01
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=   111 ND12= 1 LenFil=    3999:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.286449D+01 -0.100634D+01 -0.266510D+01 -0.125979D+01 -0.298187D+01
      2  -0.100634D+01 -0.499423D+01  0.112004D+01 -0.298187D+01  0.736203D+01
      3  -0.266510D+01  0.112004D+01  0.821653D+00  0.375536D+00 -0.393185D+01
                 6             7             8             9            10 
      1   0.375536D+00 -0.195731D+01  0.689244D+00  0.996167D+00 -0.143804D+01
      2  -0.393185D+01  0.689244D+00 -0.269703D+01  0.938200D+00  0.387587D+01
      3   0.707368D+00  0.996167D+00  0.938200D+00  0.565657D+00  0.338084D+01
                11            12            13            14            15 
      1   0.387587D+01  0.338084D+01  0.286803D+01  0.397780D+01  0.609200D+00
      2   0.573580D+01  0.135235D+01  0.397780D+01  0.194089D+01  0.321942D+01
      3   0.135235D+01 -0.484880D+00  0.609200D+00  0.321942D+01  0.973553D+00
                16            17            18            19            20 
      1   0.255545D+01  0.752932D+00 -0.559745D+00  0.104566D+01 -0.217638D+01
      2   0.752932D+00  0.210472D+01  0.125393D+01 -0.217638D+01 -0.260789D+01
      3  -0.559745D+00  0.125393D+01 -0.565542D+00 -0.182257D+01 -0.828496D+00
                21            22            23            24            25 
      1  -0.182257D+01 -0.365545D+01 -0.542091D+01 -0.219027D+01 -0.234213D+01
      2  -0.828496D+00 -0.542091D+01 -0.639102D+01 -0.463546D+01 -0.140316D+01
      3  -0.105557D+01 -0.219027D+01 -0.463546D+01 -0.202818D+01 -0.144864D+01
                26            27            28            29            30 
      1  -0.140316D+01 -0.144864D+01 -0.126779D+01 -0.186892D+01 -0.465033D-02
      2  -0.275552D+01 -0.177711D+01 -0.186892D+01  0.123912D+01 -0.188871D+01
      3  -0.177711D+01  0.182051D+01 -0.465033D-02 -0.188871D+01 -0.337980D-02
                31            32            33            34            35 
      1  -0.188784D+01  0.126639D+01  0.190064D+01  0.175852D-01 -0.663051D-02
      2   0.126639D+01  0.189721D+01 -0.116922D-01 -0.663051D-02  0.157331D-01
      3   0.190064D+01 -0.116922D-01  0.279713D-02 -0.606094D-03  0.277821D-04
                36            37            38            39            40 
      1  -0.606094D-03 -0.198237D+01  0.865851D+00  0.116678D+01  0.577689D+00
      2   0.277821D-04  0.865851D+00 -0.420987D+00  0.605382D+00  0.274443D+01
      3   0.399961D-02  0.116678D+01  0.605382D+00  0.199035D+00 -0.755831D+00
                41            42            43            44            45 
      1   0.274443D+01 -0.755831D+00  0.141019D+01 -0.848277D+00  0.660767D+00
      2  -0.104500D+02  0.529319D+01 -0.848277D+00  0.367403D+01 -0.219664D+01
      3   0.529319D+01 -0.227407D+01  0.660767D+00 -0.219664D+01 -0.182402D+01
                46            47            48            49            50 
      1   0.463719D+01  0.519235D+01  0.419532D+01  0.261548D+01  0.328929D+01
      2   0.519235D+01  0.512254D+01  0.250174D+01  0.328929D+01  0.251123D+00
      3   0.419532D+01  0.250174D+01  0.187064D+01  0.114487D+01  0.225925D+01
                51            52            53            54            55 
      1   0.114487D+01  0.238659D+01  0.140579D+01  0.157599D+01 -0.315627D+00
      2   0.225925D+01  0.140579D+01  0.271386D+01  0.167717D+01 -0.306577D+01
      3   0.131908D+01  0.157599D+01  0.167717D+01 -0.181851D+01 -0.296459D+01
                56            57            58            59            60 
      1  -0.306577D+01 -0.296459D+01 -0.468425D+01 -0.512441D+01 -0.129717D+01
      2  -0.389366D+01 -0.549525D+00 -0.512441D+01 -0.205158D+00 -0.362977D+01
      3  -0.549525D+00 -0.102364D+01 -0.129717D+01 -0.362977D+01  0.351989D+00
                61            62            63            64            65 
      1  -0.191278D+01 -0.666042D+00 -0.131418D+01 -0.851341D+01  0.148286D+01
      2  -0.666042D+00 -0.274030D+01  0.389661D+00  0.148286D+01  0.219720D+01
      3  -0.131418D+01  0.389661D+00  0.566633D+00  0.410717D+01 -0.186696D+00
                66            67            68            69            70 
      1   0.410717D+01  0.351722D+01  0.220811D+01 -0.933333D+00  0.286564D+01
      2  -0.186696D+00  0.220811D+01 -0.219539D+01  0.248993D+01 -0.572138D+00
      3  -0.600314D+00 -0.933333D+00  0.248993D+01 -0.903343D+00 -0.804797D+00
                71            72            73            74            75 
      1  -0.572138D+00 -0.804797D+00  0.108084D+02 -0.107204D+01 -0.524509D+01
      2   0.179049D+01 -0.111072D+01 -0.107204D+01 -0.131427D+01  0.212913D+00
      3  -0.111072D+01 -0.567833D+00 -0.524509D+01  0.212913D+00  0.228847D+01
                76            77            78            79            80 
      1   0.208859D+01 -0.119435D+01 -0.114286D+01 -0.386351D+01  0.525491D+00
      2  -0.119435D+01  0.156029D+01 -0.121510D+01  0.525491D+00 -0.122804D+01
      3  -0.114286D+01 -0.121510D+01  0.927542D-01  0.226808D+01 -0.367589D+00
                81            82            83            84            85 
      1   0.226808D+01 -0.962310D+00  0.203774D+01 -0.262566D+01  0.357082D+00
      2  -0.367589D+00  0.203774D+01 -0.694555D+01  0.265001D+01 -0.426963D+01
      3   0.182323D+01 -0.262566D+01  0.265001D+01 -0.123050D+01  0.129349D+01
                86            87            88            89            90 
      1  -0.426963D+01  0.129349D+01 -0.144486D+01  0.879661D+00 -0.820139D+00
      2   0.604463D+01 -0.383775D+01  0.879661D+00 -0.367507D+01  0.214114D+01
      3  -0.383775D+01  0.192633D+01 -0.820139D+00  0.214114D+01  0.182435D+01
                91            92            93            94            95 
      1  -0.138827D+01  0.113632D+01  0.241018D+01  0.120225D+00  0.516869D+01
      2   0.113632D+01  0.342012D+01 -0.506581D-01  0.516869D+01 -0.625488D+01
      3   0.241018D+01 -0.506581D-01  0.109133D+01 -0.793439D+00  0.418993D+01
                96            97            98            99           100 
      1  -0.793439D+00  0.156206D+01 -0.177065D+00  0.136680D+01  0.781965D+01
      2   0.418993D+01 -0.177065D+00  0.309178D+01 -0.136039D+00 -0.388485D+01
      3  -0.632106D-01  0.136680D+01 -0.136039D+00 -0.571475D+00 -0.426205D+01
               101           102           103           104           105 
      1  -0.388485D+01 -0.426205D+01 -0.201422D+01 -0.226423D+01 -0.202227D+00
      2  -0.148341D+01  0.545809D+00 -0.226423D+01  0.810765D+00 -0.232856D+01
      3   0.545809D+00  0.203084D+00 -0.202227D+00 -0.232856D+01 -0.106551D+01
               106           107           108           109           110 
      1  -0.310851D+01 -0.288944D-01  0.318974D+00 -0.794381D+01  0.349626D+01
      2  -0.288944D-01 -0.153959D+01 -0.133626D+01  0.349626D+01  0.598770D+00
      3   0.318974D+00 -0.133626D+01  0.568895D+00  0.432638D+01 -0.107270D+01
               111           112           113           114           115 
      1   0.432638D+01  0.638106D+01 -0.739712D+00 -0.242976D+01  0.383032D+01
      2  -0.107270D+01 -0.739712D+00  0.629641D+00  0.213234D+01 -0.550675D+00
      3  -0.207419D+01 -0.242976D+01  0.213234D+01  0.960589D+00 -0.223856D+01
               116           117           118           119           120 
      1  -0.550675D+00 -0.223856D+01  0.119001D+02  0.180369D+00 -0.324617D+01
      2   0.123018D+01  0.524932D+00  0.180369D+00  0.976130D+00  0.278885D-02
      3   0.524932D+00 -0.182562D+01 -0.324617D+01  0.278885D-02  0.211848D+01
               121           122           123           124           125 
      1  -0.243437D+01  0.114551D+01  0.906510D+00 -0.327977D+01 -0.238757D-01
      2   0.114551D+01  0.153812D+00 -0.746790D+00 -0.238757D-01 -0.470812D+00
      3   0.906510D+00 -0.746790D+00 -0.258026D+00  0.260588D+01  0.203641D+00
               126           127           128           129           130 
      1   0.260588D+01  0.215664D+00  0.638989D+00 -0.923596D+00  0.112868D+01
      2   0.203641D+00  0.638989D+00 -0.706837D+00  0.247400D+00  0.502644D+00
      3  -0.154977D+01 -0.923596D+00  0.247400D+00 -0.343984D+00 -0.196535D+00
               131           132           133           134           135 
      1   0.502644D+00 -0.196535D+00 -0.135238D+01 -0.383751D+00  0.448750D+00
      2   0.474947D+01 -0.225240D+01 -0.383751D+00 -0.183719D+01  0.172138D+01
      3  -0.225240D+01  0.232268D+01  0.448750D+00  0.172138D+01 -0.222138D+01
               136           137           138           139           140 
      1   0.613337D+01  0.320543D+01  0.187730D+01  0.517735D+01  0.441291D+01
      2   0.320543D+01  0.268461D+01  0.872016D+00  0.441291D+01  0.447818D+01
      3   0.187730D+01  0.872016D+00  0.152153D+01  0.177586D+01  0.211292D+01
               141           142           143           144           145 
      1   0.177586D+01  0.225864D+01  0.134949D+01  0.218885D+01  0.220780D+01
      2   0.211292D+01  0.134949D+01  0.148884D+01  0.142536D+01 -0.920361D+00
      3   0.149476D+01  0.218885D+01  0.142536D+01  0.154884D+01  0.139532D+01
               146           147           148           149           150 
      1  -0.920361D+00  0.139532D+01 -0.204886D+01  0.166214D+01 -0.857277D+00
      2   0.100615D+01 -0.412704D+00  0.166214D+01 -0.291172D+01  0.178362D+01
      3  -0.412704D+00  0.114591D+01 -0.857277D+00  0.178362D+01 -0.205004D+01
               151           152           153           154           155 
      1   0.190695D+01 -0.333075D+00  0.140537D+01 -0.236843D+01  0.194091D+01
      2  -0.333075D+00  0.128732D+01 -0.109138D+01  0.194091D+01 -0.210361D+01
      3   0.140537D+01 -0.109138D+01  0.222014D+01 -0.978853D+00  0.404487D+00
               156           157           158           159           160 
      1  -0.978853D+00  0.309993D+01 -0.445245D+01  0.130801D+01 -0.119427D+01
      2   0.404487D+00 -0.445245D+01  0.919733D+01 -0.301622D+01  0.122834D+01
      3  -0.836901D+00  0.130801D+01 -0.301622D+01  0.196348D+01 -0.147999D+01
               161           162           163           164           165 
      1   0.122834D+01 -0.147999D+01 -0.374651D+01 -0.778742D+00 -0.189974D+01
      2  -0.255666D+01  0.215498D+01 -0.778742D+00 -0.110443D+01 -0.365793D+00
      3   0.215498D+01 -0.155078D+01 -0.189974D+01 -0.365793D+00 -0.184157D+01
               166           167           168           169           170 
      1  -0.206651D+01 -0.128521D+01 -0.809134D+00 -0.205086D+01 -0.179362D-01
      2  -0.128521D+01 -0.128682D+01 -0.128165D+01 -0.179362D-01 -0.114388D+01
      3  -0.809134D+00 -0.128165D+01 -0.145901D+01 -0.171699D+01 -0.473259D+00
               171           172           173           174           175 
      1  -0.171699D+01 -0.105029D+02  0.371832D+01  0.319948D+01  0.123353D+01
      2  -0.473259D+00  0.371832D+01 -0.226805D+01 -0.101074D+01 -0.142451D+01
      3  -0.222575D+01  0.319948D+01 -0.101074D+01 -0.205414D+01 -0.106381D+00
               176           177           178           179           180 
      1  -0.142451D+01 -0.106381D+00  0.285061D+01 -0.100699D+01 -0.232887D+01
      2   0.156896D+01  0.788165D+00 -0.100699D+01  0.896326D+00  0.118238D+01
      3   0.788165D+00  0.570163D+00 -0.232887D+01  0.118238D+01  0.154693D+01
               181           182           183           184           185 
      1   0.830119D+00  0.107423D+01  0.113524D+01  0.107763D+01  0.546788D+00
      2   0.107423D+01  0.185561D+01  0.708205D+00  0.546788D+00  0.419711D+01
      3   0.113524D+01  0.708205D+00  0.120148D+01  0.262092D+00  0.204405D+01
               186           187           188           189           190 
      1   0.262092D+00  0.115667D+01 -0.103546D+00  0.241647D+00 -0.306387D+01
      2   0.204405D+01 -0.103546D+00  0.204434D+01  0.176306D+01 -0.378734D+01
      3   0.201926D+01  0.241647D+00  0.176306D+01  0.222278D+01 -0.176627D+01
               191           192           193           194           195 
      1  -0.378734D+01 -0.176627D+01 -0.233281D+01 -0.317215D+01 -0.858425D+00
      2  -0.535029D+01 -0.176206D+01 -0.317215D+01 -0.767792D+01 -0.222818D+01
      3  -0.176206D+01 -0.128360D+01 -0.858425D+00 -0.222818D+01 -0.170611D+01
               196           197           198           199           200 
      1  -0.115278D+01 -0.120487D+01 -0.112684D+01  0.346844D+01 -0.161380D+01
      2  -0.120487D+01 -0.259860D+01 -0.235820D+01 -0.161380D+01  0.187183D+01
      3  -0.112684D+01 -0.235820D+01 -0.155013D+01 -0.194287D+01  0.785085D+00
               201           202           203           204           205 
      1  -0.194287D+01 -0.814035D+00  0.838714D+00  0.340229D+00 -0.138596D+01
      2   0.785085D+00  0.838714D+00 -0.170619D+01 -0.123487D+01  0.401661D+00
      3   0.218344D+01  0.340229D+00 -0.123487D+01 -0.865639D+00  0.126660D+01
               206           207           208           209           210 
      1   0.401661D+00  0.126660D+01  0.334063D+00 -0.159364D+01  0.906730D+00
      2  -0.181015D+01 -0.125089D+01 -0.159364D+01  0.361685D+01 -0.121467D+01
      3  -0.125089D+01 -0.222439D+01  0.906730D+00 -0.121467D+01  0.532797D+00
               211           212           213           214           215 
      1  -0.108304D+01  0.104557D+01 -0.311574D+00  0.512247D+00 -0.341047D+00
      2   0.104557D+01 -0.113864D+02  0.308183D+01 -0.341047D+00  0.323488D+01
      3  -0.311574D+00  0.308183D+01 -0.206385D+01  0.139568D+00 -0.260725D+01
               216           217           218           219           220 
      1   0.139568D+00 -0.463560D+01 -0.885833D+00  0.223785D+01  0.245266D+00
      2  -0.260725D+01 -0.885833D+00 -0.127230D+01  0.372245D+00 -0.621555D+00
      3   0.154698D+01  0.223785D+01  0.372245D+00 -0.234977D+01 -0.727961D-01
               221           222           223           224           225 
      1  -0.621555D+00 -0.727961D-01  0.173357D+01  0.435913D+00 -0.164857D+01
      2  -0.552333D+00  0.942454D+00  0.435913D+00  0.146912D+01 -0.671832D+00
      3   0.942454D+00  0.330710D-01 -0.164857D+01 -0.671832D+00  0.222329D+01
               226           227           228           229           230 
      1   0.533012D+01 -0.179134D+01  0.828605D+00 -0.192969D+01  0.102563D+01
      2  -0.179134D+01  0.340010D+01 -0.125539D+01  0.102563D+01 -0.507607D+00
      3   0.828605D+00 -0.125539D+01  0.135265D+01 -0.177593D+00 -0.533836D+00
               231           232           233           234           235 
      1  -0.177593D+00 -0.118287D-01  0.112575D+00  0.591007D+00  0.641326D+00
      2  -0.533836D+00  0.112575D+00 -0.191221D+01  0.447811D+00 -0.392879D+00
      3  -0.120747D+00  0.591007D+00  0.447811D+00  0.255040D+00  0.704904D+00
               236           237           238           239           240 
      1  -0.392879D+00  0.704904D+00 -0.471465D+00 -0.433498D+00  0.229186D+00
      2  -0.949495D+00  0.294167D+00 -0.433498D+00  0.127300D+01 -0.133298D+00
      3   0.294167D+00 -0.209542D+00  0.229186D+00 -0.133298D+00  0.715001D+00
               241           242           243           244           245 
      1   0.100817D+01 -0.711960D-01  0.101718D+01 -0.676759D+01 -0.619877D+00
      2  -0.711960D-01  0.206786D+01 -0.119340D+01 -0.619877D+00 -0.223355D+01
      3   0.101718D+01 -0.119340D+01  0.739793D+01 -0.113176D+01 -0.562426D+00
               246           247           248           249           250 
      1  -0.113176D+01  0.152484D+00  0.197700D-01  0.514462D+00  0.373422D+00
      2  -0.562426D+00  0.197700D-01  0.935639D+00  0.842754D+00  0.753655D+00
      3  -0.129544D+01  0.514462D+00  0.842754D+00  0.407771D+00 -0.373444D+00
               251           252           253           254           255 
      1   0.753655D+00 -0.373444D+00 -0.601490D+00  0.615313D+00 -0.396716D+00
      2   0.155913D+01  0.641437D+00  0.615313D+00  0.118971D+01  0.513672D+00
      3   0.641437D+00 -0.249276D+00 -0.396716D+00  0.513672D+00  0.464348D+00
               256           257           258           259           260 
      1   0.344763D+00  0.744821D+00  0.449893D+00 -0.121317D+01 -0.423772D+00
      2   0.744821D+00  0.272795D+00 -0.172387D+00 -0.423772D+00 -0.186156D+01
      3   0.449893D+00 -0.172387D+00  0.580649D+00 -0.139897D+01 -0.712009D+00
               261           262           263           264           265 
      1  -0.139897D+01 -0.422472D+01 -0.184082D+01  0.428290D+00 -0.383226D+01
      2  -0.712009D+00 -0.184082D+01 -0.223797D+01  0.409900D+00 -0.933186D+00
      3  -0.739710D+01  0.428290D+00  0.409900D+00 -0.779666D+00  0.148772D+01
               266           267           268           269           270 
      1  -0.933186D+00  0.148772D+01 -0.153814D+01  0.768180D+00  0.926873D-01
      2  -0.252646D+01 -0.130318D+00  0.768180D+00 -0.392263D+00 -0.735521D+00
      3  -0.130318D+00 -0.111354D+01  0.926873D-01 -0.735521D+00  0.254226D+00
               271           272           273           274           275 
      1   0.115602D+01 -0.908028D+00 -0.151367D+00 -0.419760D+00 -0.498724D+00
      2  -0.908028D+00 -0.307802D+00  0.264770D+00 -0.498724D+00  0.289477D+00
      3  -0.151367D+00  0.264770D+00  0.727338D+00  0.198206D+00  0.721743D+00
               276           277           278           279           280 
      1   0.198206D+00  0.186304D+01 -0.422052D+00 -0.153973D+01  0.203738D+01
      2   0.721743D+00 -0.422052D+00  0.121025D+01 -0.281436D+00  0.524662D+00
      3  -0.173889D+00 -0.153973D+01 -0.281436D+00  0.739739D+01  0.369442D+00
               281           282           283           284           285 
      1   0.524662D+00  0.369442D+00  0.207747D+01  0.160587D+01 -0.302638D+00
      2   0.340396D+01 -0.137882D+01  0.160587D+01  0.516517D+01 -0.656424D+00
      3  -0.137882D+01  0.100045D+01 -0.302638D+00 -0.656424D+00  0.916185D+00
               286           287           288           289           290 
      1   0.610379D+00 -0.889655D+00  0.742085D+00 -0.406035D+00  0.244803D+00
      2  -0.889655D+00  0.132745D+01  0.269748D-02  0.244803D+00  0.655747D+00
      3   0.742085D+00  0.269748D-02 -0.249686D+00 -0.646418D+00 -0.307607D+00
               291           292           293           294           295 
      1  -0.646418D+00 -0.507300D-02  0.110915D+01 -0.370036D+00 -0.133230D+01
      2  -0.307607D+00  0.110915D+01 -0.812665D+00  0.743657D-01  0.492144D+00
      3   0.275281D+00 -0.370036D+00  0.743657D-01 -0.687846D+00  0.851770D-01
               296           297           298           299           300 
      1   0.492144D+00  0.851770D-01 -0.119467D+01 -0.117803D+00 -0.812248D+00
      2  -0.174452D+01  0.157049D+01 -0.117803D+00 -0.107165D+01 -0.772789D+00
      3   0.157049D+01 -0.739663D+01 -0.812248D+00 -0.772789D+00 -0.574186D+00
               301           302           303           304           305 
      1   0.200518D+01 -0.350884D-03  0.306891D+00 -0.134186D+01 -0.881360D+00
      2  -0.350884D-03  0.676539D+01  0.111129D+01 -0.881360D+00 -0.580065D+00
      3   0.306891D+00  0.111129D+01  0.123220D+01 -0.683417D+00  0.286352D+00
               306           307           308           309           310 
      1  -0.683417D+00  0.434754D-01 -0.595581D+00  0.300844D+00 -0.100654D+01
      2   0.286352D+00 -0.595581D+00 -0.588931D+00 -0.461963D+00 -0.914196D+00
      3   0.254449D+00  0.300844D+00 -0.461963D+00 -0.516349D+00 -0.527563D+00
               311           312           313           314           315 
      1  -0.914196D+00 -0.527563D+00  0.173940D+01  0.492764D+00  0.524114D+00
      2   0.331734D+00  0.266450D+00  0.492764D+00  0.133365D+01  0.147204D+01
      3   0.266450D+00 -0.545189D+00  0.524114D+00  0.147204D+01  0.739768D+01
               316           317           318           319           320 
      1   0.129852D+01 -0.142472D+01  0.326582D+00 -0.375656D+01  0.180894D+01
      2  -0.142472D+01  0.226067D+01  0.329260D+00  0.180894D+01 -0.457575D+01
      3   0.326582D+00  0.329260D+00  0.295310D+00  0.140721D+01 -0.620028D+00
               321           322           323           324           325 
      1   0.140721D+01  0.190858D+01  0.136383D+00 -0.367375D+00 -0.144839D+01
      2  -0.620028D+00  0.136383D+00  0.122325D-01 -0.644828D+00  0.114805D+00
      3  -0.132546D+01 -0.367375D+00 -0.644828D+00 -0.253373D+00  0.188470D+00
               326           327           328           329           330 
      1   0.114805D+00  0.188470D+00  0.634857D+00  0.607777D+00 -0.175163D+00
      2   0.619999D+00 -0.110492D+00  0.607777D+00 -0.434364D+00 -0.757127D+00
      3  -0.110492D+00 -0.735600D+00 -0.175163D+00 -0.757127D+00  0.113996D+00
               331           332           333 
      1  -0.206706D+01 -0.682245D-01  0.131517D+01
      2  -0.682245D-01 -0.100873D+01 -0.852330D+00
      3   0.131517D+01 -0.852330D+00 -0.739769D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.113032D+02 -0.621717D+01  0.547600D+01 -0.520422D+01 -0.376338D-01
      2   0.331020D+00  0.266029D+01  0.336669D+01  0.169759D+01  0.219672D+01
      3  -0.924698D+01  0.213247D+01  0.956769D+01  0.609693D+01  0.764928D+01
                 6             7             8             9            10 
      1  -0.900340D+01 -0.220387D+00 -0.249690D+01  0.342817D+00  0.484338D+01
      2   0.946441D+00  0.558761D+00 -0.339709D+00 -0.559280D+00 -0.302096D+01
      3   0.137174D+01  0.102650D+02  0.190407D+01 -0.335694D+01  0.969001D+01
                11            12            13            14            15 
      1  -0.837251D+01 -0.680600D+01 -0.709286D+01  0.664188D+01 -0.658498D+01
      2   0.199661D+01  0.579515D+01  0.249856D+01  0.101349D+01  0.374766D+00
      3  -0.503404D+01 -0.832254D+01 -0.104112D+01 -0.808592D+01  0.492287D+01
                16            17            18            19            20 
      1  -0.445799D+00 -0.215616D+01 -0.545899D+00  0.400972D+00 -0.114605D+01
      2   0.885091D+00  0.998281D+00 -0.393310D+00  0.189278D+02  0.131388D+02
      3  -0.875697D+01  0.567689D+01  0.336140D+01 -0.210025D+02 -0.172058D+02
                21            22            23            24            25 
      1   0.311594D+01 -0.954706D+00 -0.149850D+02  0.221449D+01  0.108199D+02
      2   0.860071D+01  0.419436D+01 -0.637425D+00 -0.303907D+01 -0.968454D+01
      3  -0.832119D+01  0.621170D+00  0.137274D+02  0.196100D+01 -0.292702D+01
                26            27            28            29            30 
      1   0.181516D+02  0.179781D+02  0.212590D+01  0.336464D+01  0.403686D-01
      2  -0.114066D+02 -0.163704D+02  0.299201D+01 -0.211758D+01 -0.821738D+00
      3   0.247653D+01 -0.679065D+00 -0.115990D+00 -0.641166D+00 -0.288774D-01
                31            32            33            34            35 
      1   0.311911D+01 -0.218248D+01  0.837648D+00  0.175164D+00  0.136484D+01
      2  -0.213145D+01 -0.321912D+01  0.692753D-01 -0.110742D+01 -0.187995D-01
      3   0.585304D+00  0.616720D-02  0.139901D+00  0.997447D-01  0.934022D-01
                36            37            38            39            40 
      1  -0.855696D-01  0.482786D+01 -0.243717D+01  0.158285D+01  0.110453D+01
      2  -0.222046D+00  0.879916D+01 -0.179035D+02  0.918022D+01 -0.974245D+01
      3  -0.119921D+00  0.100883D+02 -0.270452D+02  0.843483D+01 -0.926685D+01
                41            42            43            44            45 
      1   0.155434D+02  0.286490D+01 -0.461437D+01  0.248191D+02 -0.228895D+02
      2   0.257688D+01 -0.168675D+01 -0.308785D+01  0.515288D+01 -0.821641D+01
      3  -0.268608D+01 -0.137292D+01  0.366219D+01  0.115785D+01  0.712362D+00
                46            47            48            49            50 
      1   0.609293D+00 -0.172060D+01  0.431579D+01 -0.106114D+02 -0.206664D+02
      2   0.146433D+02  0.273902D+01 -0.120208D+01  0.171638D+01 -0.261776D+01
      3  -0.152195D+02 -0.542088D+01 -0.303164D+01  0.124496D+02  0.225035D+02
                51            52            53            54            55 
      1  -0.765773D+01  0.121346D+02  0.127452D+02  0.185653D+02  0.767403D+00
      2  -0.436046D+01 -0.152321D+02 -0.115685D+02 -0.156709D+02 -0.855992D+01
      3   0.800339D+01 -0.279836D+01  0.256927D+01  0.680272D+00  0.698076D+01
                56            57            58            59            60 
      1  -0.378798D+01 -0.371844D+00 -0.345899D+01  0.270675D+01 -0.674132D+01
      2   0.614527D+01  0.563124D+01  0.748809D+01 -0.251299D+01  0.678701D+01
      3   0.327858D+01 -0.596550D+01  0.726913D+01 -0.857724D+01  0.758936D+01
                61            62            63            64            65 
      1  -0.114593D+01 -0.108814D+01  0.310807D+00 -0.141094D+01 -0.230096D+01
      2   0.194356D+01  0.588929D+00  0.597514D+00 -0.143130D+01  0.326408D+01
      3  -0.677525D+01  0.792535D+01 -0.336274D+01 -0.626470D+01 -0.815450D+01
                66            67            68            69            70 
      1  -0.173894D+01 -0.340613D+01 -0.256066D+01 -0.288544D+01  0.739907D-01
      2   0.947998D+01  0.414884D+01  0.123412D+02 -0.466177D+01  0.246787D+01
      3  -0.104879D+00 -0.417231D+01  0.788397D+01 -0.964809D+01 -0.550258D+00
                71            72            73            74            75 
      1  -0.576185D+00  0.610832D+00 -0.413225D+01  0.103118D+02  0.310773D+01
      2   0.463799D+00 -0.280599D+00 -0.161809D+02 -0.115288D+01 -0.220359D+01
      3  -0.104119D+02  0.337600D+01 -0.207425D+01  0.102804D+02  0.239068D+01
                76            77            78            79            80 
      1   0.179701D+02 -0.434103D+01 -0.855847D+01 -0.214743D+01  0.215170D+01
      2   0.332225D+01 -0.542225D+01 -0.315254D+01 -0.257873D+02  0.148152D+01
      3   0.280606D+02 -0.507912D+01 -0.821321D+01 -0.659164D+00 -0.384707D+01
                81            82            83            84            85 
      1   0.524846D+01  0.230918D+01  0.381656D+01 -0.616401D+01 -0.390884D+01
      2   0.238188D+02  0.104814D+02 -0.104559D+02  0.316157D+01 -0.610560D+01
      3  -0.634875D+00  0.122657D+02 -0.197323D+02  0.587305D+01 -0.195575D+01
                86            87            88            89            90 
      1   0.208432D+02 -0.321898D+01 -0.954432D+01  0.214735D+02 -0.231680D+02
      2  -0.703744D+01  0.621946D+01 -0.644861D+01  0.898139D+01 -0.737451D+01
      3  -0.194967D+02  0.621891D+01  0.357723D+01  0.130581D+01 -0.699858D+00
                91            92            93            94            95 
      1  -0.808692D+01 -0.395041D+01 -0.107626D+01 -0.413842D+01  0.654517D+00
      2  -0.101335D+02 -0.603463D+00  0.327130D+01 -0.194970D+01  0.128237D+01
      3  -0.994915D+00  0.717249D+01  0.842593D+01  0.111817D+02  0.265626D+01
                96            97            98            99           100 
      1  -0.911309D+01  0.116551D+01 -0.183004D+01 -0.615548D-01 -0.119409D+01
      2  -0.536645D+01  0.117658D+01 -0.636072D+00  0.684004D+00 -0.174339D+01
      3   0.472281D+01  0.927775D+01  0.475749D+01  0.338611D+01 -0.139739D+00
               101           102           103           104           105 
      1   0.293890D-01  0.452860D+01 -0.131746D+01  0.902222D+01 -0.279181D+01
      2   0.288505D+01  0.957438D+01  0.248969D+01  0.102827D+02  0.191933D+01
      3  -0.113645D+02 -0.357700D+01 -0.740617D+01 -0.147557D+01 -0.895338D+01
               106           107           108           109           110 
      1   0.545257D+00 -0.981859D+00 -0.685576D+00  0.720329D+01  0.786381D+01
      2   0.207684D+01 -0.107913D+01 -0.459725D-01 -0.196949D+02  0.253453D+01
      3  -0.345006D+01 -0.984764D+01 -0.338111D+01  0.161833D+02  0.571360D+01
               111           112           113           114           115 
      1  -0.607363D+01  0.132223D+02 -0.759824D+01 -0.482736D+01 -0.675582D+01
      2   0.160009D+01 -0.456627D+01 -0.362494D+01  0.596632D+01 -0.236673D+02
      3  -0.540555D+01  0.236027D+02 -0.887673D+01 -0.670332D+01 -0.933440D+00
               116           117           118           119           120 
      1   0.432076D+01  0.436023D+01  0.121849D+01 -0.166826D+01 -0.187315D+01
      2   0.732420D+01  0.240267D+02  0.288039D+01  0.102443D+01  0.564624D+01
      3  -0.380992D+01  0.705526D+00  0.705182D+01 -0.554263D+01 -0.298109D+01
               121           122           123           124           125 
      1  -0.213416D+00  0.108126D+01 -0.333081D+00 -0.132250D+01  0.138656D+01
      2  -0.346668D+01 -0.188122D+01  0.595100D+00  0.260378D+01 -0.298968D+00
      3  -0.211918D+01  0.179064D+01  0.246135D+01 -0.768848D+00  0.299751D+01
               126           127           128           129           130 
      1   0.775630D+00  0.759482D+00  0.106303D+01  0.728177D+00 -0.154749D+00
      2  -0.262724D+01 -0.445625D+01  0.150427D+01 -0.228987D+01  0.891104D+00
      3   0.102604D+01 -0.337612D+01  0.342332D+01 -0.201405D+01  0.268768D+01
               131           132           133           134           135 
      1  -0.314246D+01 -0.191043D+01 -0.119631D+00  0.122786D+01  0.887505D+00
      2  -0.691465D+01  0.768836D+01 -0.198920D+01  0.541038D+01 -0.644587D+01
      3  -0.151780D+02  0.724337D+01 -0.520362D+00  0.581269D+01 -0.578149D+01
               136           137           138           139           140 
      1   0.167333D+00  0.104671D+01 -0.160807D+01  0.263349D+01  0.227068D+01
      2   0.205863D+00  0.338377D+00  0.486503D+01 -0.411079D+01  0.398450D+00
      3  -0.140527D+01 -0.524129D+01 -0.865475D+00 -0.182497D+01 -0.745756D+01
               141           142           143           144           145 
      1  -0.111240D+01 -0.980080D+00  0.402662D+00 -0.981813D+00 -0.275829D+01
      2   0.288645D+01  0.161585D+01  0.260585D+01  0.255411D+01  0.317723D+01
      3  -0.376851D+01  0.121049D+01 -0.284775D+01 -0.103020D+01  0.479018D+01
               146           147           148           149           150 
      1   0.129264D+01 -0.127509D+01  0.260847D+01 -0.604546D+01  0.301337D+01
      2   0.241482D+00  0.264812D+01  0.512046D+00  0.438246D+01 -0.713203D+01
      3  -0.459078D+01  0.282056D+01 -0.529362D+01  0.137425D+02 -0.697529D+01
               151           152           153           154           155 
      1  -0.155931D+01  0.418745D+01 -0.321882D+01  0.135457D+01 -0.522295D+00
      2   0.977934D+00 -0.372492D+01  0.564851D+01  0.112337D+01 -0.660773D+00
      3   0.312060D+01 -0.494310D+01  0.577807D+01 -0.217610D+00 -0.206445D+01
               156           157           158           159           160 
      1   0.227555D+01  0.263591D+01 -0.337935D+01 -0.324721D+01  0.117637D+01
      2   0.272862D+01  0.284536D+01  0.348421D+00 -0.355429D+01  0.547009D-01
      3  -0.642261D+00  0.136124D+01  0.903916D+01 -0.381027D+01 -0.221445D+01
               161           162           163           164           165 
      1  -0.116930D+01  0.189298D+01  0.544971D+01  0.184973D+01  0.413184D+01
      2  -0.279804D+01  0.199052D+01  0.109594D+01 -0.455728D+00  0.388477D+01
      3  -0.216669D+01  0.102658D+01 -0.957858D+01 -0.629504D+01 -0.527074D+01
               166           167           168           169           170 
      1   0.297009D+01  0.558297D+01  0.425986D+01  0.370312D+01  0.420400D+01
      2  -0.119593D+01  0.252122D+01  0.427927D+01  0.978510D+00  0.159516D+01
      3  -0.699928D+01 -0.894876D+01 -0.536432D+01 -0.477882D+01 -0.336560D+01
               171           172           173           174           175 
      1   0.515076D+01 -0.553840D+00 -0.241580D+01  0.338308D+01  0.652272D+00
      2   0.400616D+01  0.353658D+01 -0.232026D+01  0.399707D+01  0.128499D+01
      3  -0.579127D+01 -0.900487D+01 -0.256761D+01  0.369442D+01  0.859305D+00
               176           177           178           179           180 
      1  -0.118834D+01 -0.198241D+01  0.258164D+01  0.440169D+00 -0.171539D+01
      2  -0.172757D+01 -0.211437D+01  0.165606D+01 -0.957252D+00 -0.212233D+01
      3   0.139113D+00  0.113090D+01  0.185800D+01  0.247408D+01 -0.102772D+01
               181           182           183           184           185 
      1  -0.203012D+01  0.134517D+01 -0.320520D+01  0.457019D+00 -0.877042D-01
      2  -0.528187D+01 -0.276202D+01 -0.413106D+01 -0.175502D+01 -0.614595D+01
      3   0.723506D+01  0.671571D+01  0.463374D+01  0.602647D+01  0.113092D+02
               186           187           188           189           190 
      1  -0.378468D+01 -0.955317D+00 -0.606668D+00 -0.329864D+01 -0.649063D+00
      2  -0.520191D+01 -0.383639D+01 -0.433905D+01 -0.562202D+01 -0.185449D+01
      3   0.593682D+01  0.272454D+01  0.518328D+01  0.578139D+01  0.642433D+01
               191           192           193           194           195 
      1   0.436056D+01 -0.232374D+01 -0.258310D+00  0.369988D+00 -0.538681D+01
      2  -0.228773D+01  0.593356D+00 -0.130276D+01 -0.637229D+00  0.104445D+01
      3   0.248102D+01  0.362325D+01  0.590537D+01  0.241758D+01  0.135131D+01
               196           197           198           199           200 
      1  -0.228241D+01 -0.204473D+01 -0.266181D+01 -0.508776D+01 -0.371360D+00
      2  -0.832402D+00  0.661145D+00  0.640426D+00  0.590872D+01 -0.216964D+01
      3   0.298236D+01 -0.831161D+00  0.102589D+01 -0.148916D+02  0.393761D+01
               201           202           203           204           205 
      1   0.776989D+01 -0.289937D+00 -0.358328D+01 -0.178106D+01  0.435842D+01
      2  -0.215818D+01 -0.814699D+00  0.186550D+01  0.647099D+00 -0.381572D+01
      3   0.728381D+01  0.321976D+01 -0.367256D+01 -0.188059D+01  0.530438D+01
               206           207           208           209           210 
      1  -0.593567D+00 -0.603957D+01  0.164261D+01  0.398646D+01  0.137627D+00
      2   0.935583D+00  0.245349D+01 -0.112273D+01  0.728172D+00  0.105379D+00
      3  -0.245637D+01 -0.578372D+01 -0.288241D+01  0.267019D+01 -0.282697D+01
               211           212           213           214           215 
      1  -0.661147D+00 -0.234110D+01 -0.587255D+01  0.832887D+00 -0.266564D+01
      2   0.157984D+01 -0.128797D+01  0.113785D+01 -0.144923D+01  0.789372D+00
      3   0.609691D+01 -0.597438D+01  0.263129D+01 -0.307070D+01  0.372389D+00
               216           217           218           219           220 
      1   0.270145D+01  0.672087D+01 -0.624237D+00 -0.812885D+01 -0.104736D+01
      2  -0.425946D+00  0.411627D+01  0.596258D+00  0.945275D+00 -0.669942D+00
      3  -0.102629D+01  0.158010D+02 -0.107368D+01 -0.745591D+01 -0.174368D+01
               221           222           223           224           225 
      1   0.423042D+01  0.128790D+01 -0.542236D+01  0.127006D+01  0.652295D+01
      2  -0.254256D+00 -0.281933D+00 -0.196715D+01  0.121899D+00 -0.499131D-01
      3   0.274215D+01  0.103937D+01 -0.585733D+01 -0.221132D+00  0.578843D+01
               226           227           228           229           230 
      1  -0.489682D+00  0.386785D+01  0.915865D+00  0.114705D+01  0.636140D+00
      2  -0.922187D+01  0.359485D+01 -0.219205D+00  0.127875D+01 -0.419963D+00
      3  -0.121710D+02  0.138772D+01 -0.200911D+01  0.206107D+01 -0.100280D+01
               231           232           233           234           235 
      1  -0.182442D+01  0.188284D+01 -0.236572D+01  0.727083D+00  0.180595D+01
      2  -0.574157D+00  0.145054D+01 -0.186898D+01 -0.317841D+00  0.311266D-01
      3  -0.373940D+00  0.192546D+01 -0.340217D-01 -0.643190D+00 -0.509027D+00
               236           237           238           239           240 
      1  -0.288069D+00 -0.450847D+00  0.127814D+01  0.953578D+00  0.302169D+01
      2   0.448426D+00 -0.123266D+01  0.982838D-01 -0.191202D+01  0.160456D+01
      3  -0.285009D+00 -0.176249D+01  0.306178D+00 -0.176077D+01 -0.179784D+00
               241           242           243           244           245 
      1   0.287171D+01  0.837731D+00  0.158634D+02 -0.176445D+01  0.265486D+01
      2  -0.159465D+01 -0.156353D+01  0.447135D+01 -0.970242D+01 -0.896554D+00
      3  -0.200301D+01 -0.202224D+01 -0.174380D+01  0.117347D+02 -0.306122D+01
               246           247           248           249           250 
      1  -0.139342D+01  0.994438D+00 -0.201926D+01 -0.977339D+00 -0.166077D+01
      2   0.552957D+00  0.235871D+01  0.852828D+00  0.105606D+01  0.291834D+01
      3   0.175205D+01 -0.241157D+01  0.140929D+01 -0.110439D+01 -0.181032D+01
               251           252           253           254           255 
      1  -0.880286D+00 -0.777473D+00 -0.139151D+01 -0.519446D+00  0.774318D+00
      2   0.163811D+01 -0.309751D-01  0.871049D-01 -0.941942D+00 -0.221597D+01
      3   0.714864D+00  0.652735D+00  0.716590D+00  0.154672D+00  0.155747D+01
               256           257           258           259           260 
      1   0.105262D+01 -0.181307D+01  0.202722D+01 -0.250347D+01  0.253272D+01
      2  -0.117827D+01 -0.788132D+00 -0.194527D+01  0.119721D+00  0.117932D+01
      3   0.739734D+00  0.154391D+01 -0.839332D+00  0.106559D+01 -0.264315D+01
               261           262           263           264           265 
      1  -0.129504D+02 -0.320625D+01 -0.312128D+01  0.719707D+00 -0.380950D+01
      2   0.101734D+02  0.395371D+01  0.219064D+01  0.188334D+01  0.576539D+01
      3   0.176000D+01 -0.532742D+01 -0.598215D+01  0.743216D+00 -0.535838D+01
               266           267           268           269           270 
      1  -0.523610D+01  0.377199D+00 -0.524972D+00 -0.284443D-01 -0.633857D+00
      2   0.738609D+00 -0.342464D+00  0.372272D+01  0.578191D+00 -0.435540D+00
      3  -0.792400D+01  0.193708D+01 -0.986908D+00 -0.168642D+01 -0.669390D+00
               271           272           273           274           275 
      1  -0.177958D+01  0.108842D+01  0.322207D+00  0.395733D-02 -0.119612D+01
      2   0.174544D+00  0.103571D+00 -0.347529D+01 -0.103709D+01 -0.163440D+01
      3  -0.143948D+01  0.233810D+00  0.724231D+00  0.825454D+00 -0.818798D+00
               276           277           278           279           280 
      1   0.785694D+00 -0.152662D+00  0.333709D+01 -0.406272D+01 -0.330761D+00
      2   0.835151D+00  0.898360D+00  0.146117D+01 -0.159569D+02  0.426302D+01
      3   0.161021D+01 -0.766005D+00  0.273923D+01 -0.173515D+01  0.634204D+01
               281           282           283           284           285 
      1  -0.570362D+01  0.612907D+00 -0.201060D+01 -0.544168D+01 -0.169134D+01
      2   0.325028D+01 -0.183289D+00  0.302745D+01  0.341638D+01 -0.974395D+00
      3   0.551091D+01 -0.182422D+01  0.612635D+01  0.679415D+01 -0.976857D+00
               286           287           288           289           290 
      1  -0.891891D-01 -0.383633D+01  0.349433D+00  0.127716D+01  0.125803D+01
      2  -0.323645D-01  0.553453D-01  0.686542D+00  0.152593D+01  0.118236D+00
      3   0.152846D+01  0.122652D+01  0.658392D+00  0.960576D+00 -0.880044D+00
               291           292           293           294           295 
      1  -0.119266D+01  0.254606D+00 -0.267544D+00  0.333311D+01 -0.885462D+00
      2  -0.903187D+00 -0.111076D+01  0.163405D+01  0.106456D-01 -0.346284D+01
      3  -0.150808D+01 -0.290139D+00  0.130462D+01 -0.929703D+00 -0.281560D+01
               296           297           298           299           300 
      1  -0.106303D+01  0.152937D+02 -0.801387D+00 -0.356539D+01 -0.106030D+01
      2  -0.442611D+00  0.612745D+01  0.242672D+01 -0.137150D+01  0.650864D+00
      3   0.392370D+00  0.176174D+01 -0.231321D+01  0.365650D+01  0.132200D+01
               301           302           303           304           305 
      1  -0.904197D-01  0.906515D+01 -0.856204D+00 -0.130982D+01 -0.331052D+01
      2  -0.258933D+01  0.250951D+01  0.141837D+01  0.487957D+00  0.134850D+01
      3   0.427668D+01 -0.108494D+02 -0.161155D+01 -0.941583D+00  0.170379D+01
               306           307           308           309           310 
      1  -0.725067D-01  0.245230D+00  0.136877D+01  0.187118D+01  0.925164D+00
      2   0.773481D+00  0.198610D+01 -0.817907D+00 -0.168286D+01  0.716982D+00
      3  -0.661600D+00 -0.143670D+01 -0.838737D+00  0.103087D+01 -0.241971D+00
               311           312           313           314           315 
      1  -0.227247D-01  0.258592D+01 -0.767014D+00 -0.497926D+00 -0.117895D+02
      2   0.134820D+01 -0.716941D+00 -0.298600D+01  0.207878D+01  0.115004D+02
      3  -0.821172D+00 -0.143725D+01  0.275070D+01 -0.710627D+00 -0.173522D+01
               316           317           318           319           320 
      1   0.117884D+01 -0.212967D+01  0.272095D+00 -0.412765D+01  0.833626D+01
      2   0.254517D+00 -0.146794D+01  0.192141D+01 -0.455429D+01  0.849297D+00
      3   0.159681D+01 -0.341657D+01  0.928476D-01 -0.279788D+01  0.114836D+02
               321           322           323           324           325 
      1   0.439253D+00  0.169106D+01 -0.956510D+00  0.400208D+00  0.206262D+01
      2  -0.566103D+00  0.281712D+01 -0.168749D+01 -0.678274D+00 -0.519158D+00
      3   0.210785D+01  0.289930D+00 -0.188424D+01  0.636098D+00  0.174811D+01
               326           327           328           329           330 
      1   0.293836D+00 -0.133970D+01 -0.271233D+00  0.198476D+00  0.988944D+00
      2  -0.111852D+01 -0.325947D+01  0.366367D+00 -0.188308D+01  0.184913D+00
      3  -0.168030D+00 -0.514558D-01  0.423369D+00  0.537571D+00  0.176502D+01
               331           332           333 
      1   0.139909D+01  0.215160D+01 -0.234456D+01
      2  -0.288907D+00 -0.271460D+01 -0.163084D+02
      3   0.174204D+01  0.224563D+01  0.174653D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.670009D+01 -0.141546D+02  0.789952D+01 -0.100947D+02  0.295446D+02
      2   0.111598D+02  0.255722D+02 -0.864466D+01  0.188384D+02 -0.432473D+02
      3  -0.445968D+01 -0.114176D+02  0.745148D+00 -0.874370D+01  0.137027D+02
      4  -0.101265D+02  0.640436D+01  0.129469D+02  0.669542D+01  0.126609D+02
      5   0.836418D+01  0.327331D+00 -0.766056D+01 -0.312683D+01 -0.320094D+01
      6   0.145257D+02 -0.908818D+01 -0.576975D+01 -0.411364D+01  0.263760D+02
                 6             7             8             9            10 
      1  -0.136131D+02  0.637242D+01 -0.892488D+01 -0.116682D+01  0.123625D+02
      2   0.255753D+02 -0.665169D+01  0.176031D+02 -0.288732D+01 -0.176569D+02
      3  -0.119622D+02  0.279262D+00 -0.867825D+01  0.405415D+01  0.529435D+01
      4   0.414508D-01  0.106840D+02 -0.212369D+01 -0.420722D+01  0.115136D+01
      5  -0.937610D+00 -0.650629D+01 -0.288316D+00  0.782972D+00 -0.910920D+00
      6  -0.652481D+01 -0.384149D+01 -0.726272D+01 -0.393339D+01 -0.222731D+02
                11            12            13            14            15 
      1   0.118793D+02 -0.348980D+00  0.961498D+01  0.648313D+00  0.872094D+01
      2  -0.267579D+02 -0.492770D+01 -0.218264D+02 -0.455635D+01 -0.194796D+02
      3   0.148785D+02  0.527668D+01  0.122114D+02  0.390804D+01  0.107587D+02
      4  -0.243049D+02 -0.191618D+02 -0.202834D+02 -0.223392D+02 -0.704754D+01
      5  -0.879398D+01 -0.513964D+01 -0.369614D+01 -0.995947D+01  0.340626D+00
      6  -0.866852D+01  0.516430D+01 -0.539676D+01 -0.175136D+02 -0.909015D+01
                16            17            18            19            20 
      1  -0.148413D+01  0.445863D+01  0.156564D+01 -0.186007D+02 -0.493721D+01
      2  -0.211106D+01 -0.123720D+02 -0.565133D+01  0.124169D+02  0.711840D+01
      3   0.359519D+01  0.791337D+01  0.408569D+01  0.618376D+01 -0.218119D+01
      4  -0.154084D+02 -0.541680D+01  0.234954D+01 -0.786453D+01  0.503992D+01
      5  -0.516810D+01 -0.596537D+00  0.223913D+01 -0.443152D+01  0.245652D+01
      6   0.295650D+01 -0.865267D+01  0.332959D+01  0.473295D+01  0.261182D+01
                21            22            23            24            25 
      1  -0.225851D+01 -0.980164D+01 -0.118021D+02 -0.107409D+02 -0.881611D+00
      2   0.170457D+00  0.145647D+02  0.109462D+02  0.126540D+02  0.193980D+01
      3   0.208805D+01 -0.476308D+01  0.855898D+00 -0.191313D+01 -0.105819D+01
      4   0.201647D+01  0.752182D+01  0.104709D+02  0.541793D+01  0.355848D+00
      5   0.384728D+01  0.158682D+01  0.897030D+01  0.202781D+01  0.302054D+01
      6   0.221839D+01  0.439513D+01  0.899217D+01  0.687796D+01 -0.196093D+00
                26            27            28            29            30 
      1  -0.555702D+01  0.392499D+01 -0.842075D+01 -0.332487D-01 -0.524950D+01
      2   0.533841D+01  0.126851D+02  0.283741D+01  0.342947D-01  0.528760D+01
      3   0.218611D+00 -0.166101D+02  0.558333D+01 -0.104595D-02 -0.381019D-01
      4   0.367664D+01 -0.630843D-01 -0.235171D-01 -0.556732D+01  0.349368D+01
      5   0.465623D+00 -0.461690D+01 -0.326674D+01  0.218560D+01 -0.302765D+01
      6   0.579472D+01 -0.736247D+01  0.218222D+01  0.334046D+01 -0.179925D-01
                31            32            33            34            35 
      1   0.904010D-02  0.288274D+01  0.348786D+01 -0.776284D+01  0.516885D+01
      2  -0.374697D-01 -0.849472D+01 -0.349432D+01  0.777712D+01 -0.517250D+01
      3   0.284296D-01  0.561197D+01  0.646009D-02 -0.142853D-01  0.365367D-02
      4  -0.564112D+01 -0.240834D-01  0.530040D+01  0.520868D+01  0.772211D+01
      5   0.217525D+01  0.331502D+01  0.357860D-01  0.389858D+01  0.103200D-01
      6   0.331262D+01 -0.217933D+01 -0.302168D+01  0.871631D-02  0.383405D+01
                36            37            38            39            40 
      1  -0.274014D+00 -0.312329D+01  0.144994D+01  0.117780D+01  0.626798D+01
      2  -0.342874D+00 -0.471799D+01 -0.752947D+00 -0.385373D+01 -0.813761D+01
      3   0.616888D+00  0.784128D+01 -0.696993D+00  0.267593D+01  0.186963D+01
      4   0.118780D-01  0.127878D+02 -0.571884D+01 -0.220291D+01 -0.832120D+01
      5  -0.267148D-01 -0.471008D+01  0.268800D+01  0.279315D+01  0.417713D+01
      6   0.286372D-01 -0.116185D+01 -0.102393D+01 -0.518425D+00  0.269383D+00
                41            42            43            44            45 
      1  -0.212416D+02  0.115864D+02  0.181807D+01  0.630583D+01  0.525683D+01
      2   0.220614D+02 -0.125486D+02 -0.786337D+00 -0.649410D+01  0.113450D+02
      3  -0.819846D+00  0.962191D+00 -0.103174D+01  0.188275D+00 -0.166019D+02
      4   0.434400D+01 -0.389813D+01  0.249228D+00 -0.144216D+01  0.312172D+01
      5   0.362911D+01 -0.332458D+00  0.331852D+01  0.555023D+00 -0.142509D+01
      6  -0.132477D+02  0.791154D+01  0.120296D+01  0.547190D+01  0.859095D+01
                46            47            48            49            50 
      1   0.561935D+01  0.110671D+02  0.108111D+02  0.453015D+01  0.161600D+02
      2  -0.748641D+01 -0.574274D+01 -0.863721D+01 -0.177867D+01 -0.213098D+02
      3   0.186705D+01 -0.532435D+01 -0.217392D+01 -0.275148D+01  0.514977D+01
      4   0.105866D+02  0.122553D+02  0.790344D+01  0.831073D+01 -0.108198D+01
      5   0.687324D+01  0.434269D+01  0.626349D+01  0.246550D+01  0.615289D+01
      6   0.917772D+01  0.384219D+01  0.233676D+01  0.450962D+01 -0.293468D+01
                51            52            53            54            55 
      1   0.103139D+01  0.390316D+01  0.235377D+01  0.125295D+02  0.565446D+01
      2  -0.289199D+01 -0.425190D+01 -0.137897D+01  0.408771D+01 -0.606646D+01
      3   0.186059D+01  0.348742D+00 -0.974801D+00 -0.166172D+02  0.412005D+00
      4   0.333422D+01  0.483247D+01  0.132694D+01  0.109838D+01 -0.151211D+02
      5   0.256447D+01  0.570640D+01  0.187202D+00 -0.671665D+01 -0.145478D+02
      6   0.443785D+01  0.829230D+00  0.311367D+01 -0.550048D+01 -0.101511D+02
                56            57            58            59            60 
      1  -0.129184D+02 -0.170322D+02 -0.167057D+02 -0.217955D+02 -0.210919D+01
      2   0.137009D+01  0.705017D+01  0.247940D+01  0.129835D+02 -0.451960D+01
      3   0.115483D+02  0.998201D+01  0.142263D+02  0.881197D+01  0.662879D+01
      4  -0.252884D+02 -0.785555D+01 -0.301408D+02 -0.990356D+01 -0.202962D+02
      5  -0.385084D+01 -0.971672D+01 -0.644864D+01 -0.234505D+02  0.455705D+01
      6  -0.520676D+01 -0.250094D+00 -0.106982D+02 -0.581616D+01 -0.448421D+01
                61            62            63            64            65 
      1  -0.108354D+02  0.501679D+00 -0.611409D+01 -0.494120D+02  0.827683D+01
      2   0.345016D+01 -0.508869D+01  0.204147D+01  0.334253D+02 -0.223900D+01
      3   0.738526D+01  0.458701D+01  0.407263D+01  0.159867D+02 -0.603784D+01
      4  -0.538202D+01 -0.157954D+02  0.133446D+01 -0.192026D+00  0.111908D+02
      5  -0.888348D+01  0.245914D+01  0.301807D+01  0.279993D+02 -0.173912D+01
      6  -0.107926D+01 -0.491947D+01  0.264512D+01  0.104485D+01 -0.486028D+01
                66            67            68            69            70 
      1   0.262303D+02  0.149049D+02  0.176650D+02 -0.837861D+01  0.187799D+02
      2  -0.142746D+02 -0.619993D+01 -0.108880D+02  0.919395D+01 -0.101262D+02
      3  -0.119557D+02 -0.870498D+01 -0.677696D+01 -0.815339D+00 -0.865368D+01
      4   0.372172D+01  0.123217D+02 -0.447465D+01  0.109240D+02  0.244305D+00
      5  -0.571455D+01 -0.713589D+01  0.118656D+02 -0.548756D+01 -0.674961D+01
      6  -0.676145D+00 -0.208284D+01  0.943411D+01 -0.850725D+01 -0.320627D+00
                71            72            73            74            75 
      1  -0.681651D+01 -0.180242D+01  0.203774D+02 -0.197775D+01 -0.106264D+02
      2   0.766884D+01 -0.227110D+01 -0.195637D+02  0.124595D+01  0.999888D+01
      3  -0.852332D+00  0.407352D+01 -0.813644D+00  0.731804D+00  0.627542D+00
      4   0.872236D+01 -0.429387D+01  0.119367D+02 -0.994051D+01 -0.645025D+01
      5  -0.387011D+01 -0.400957D+01 -0.131860D+02 -0.192660D+01  0.797390D+01
      6  -0.705625D+01  0.263478D+00  0.908768D+00  0.490695D+01  0.370112D+00
                76            77            78            79            80 
      1   0.449432D+01 -0.821006D+01 -0.461679D+01 -0.576518D+01 -0.154517D+01
      2  -0.263947D+01  0.355020D+00  0.184806D+01  0.543779D+01  0.256235D+01
      3  -0.185485D+01  0.785504D+01  0.276873D+01  0.327386D+00 -0.101719D+01
      4  -0.588439D+01  0.100806D+02 -0.366928D+01 -0.300296D+01 -0.506827D+00
      5  -0.302639D+01 -0.971069D+00  0.140706D+00  0.523230D+01  0.146616D+01
      6   0.326972D+01 -0.383051D+01  0.276255D+01  0.813621D+00  0.361819D+01
                81            82            83            84            85 
      1   0.104492D+02 -0.724614D+00  0.509238D+01  0.290174D+01  0.730222D+01
      2   0.617377D+01 -0.445607D+01 -0.104374D+02 -0.230890D+00 -0.100637D+02
      3  -0.166229D+02  0.518069D+01  0.534506D+01 -0.267085D+01  0.276152D+01
      4   0.382700D+01 -0.411902D+01  0.112130D+02 -0.100786D+02  0.470292D+01
      5   0.869064D+01  0.229710D+01 -0.700687D+00  0.429678D+01  0.127185D+01
      6  -0.303395D+00 -0.579258D+01  0.774442D+01 -0.229319D+01  0.762613D+01
                86            87            88            89            90 
      1   0.842057D+01  0.833710D+00 -0.978548D+00 -0.521594D+00  0.105551D+02
      2  -0.102615D+02 -0.113787D-01  0.240751D+00 -0.311719D+00  0.606335D+01
      3   0.184090D+01 -0.822331D+00  0.737797D+00  0.833314D+00 -0.166184D+02
      4  -0.204768D+02  0.820048D+01 -0.497533D+01  0.450429D+01 -0.377855D+01
      5   0.731477D+01 -0.247825D+01  0.498859D+01 -0.936227D+00 -0.407157D+01
      6  -0.501817D+01  0.644324D+01 -0.162092D+01  0.384013D+01  0.770279D+01
                91            92            93            94            95 
      1   0.602683D+01 -0.134785D+02 -0.118662D+02 -0.138221D+02 -0.111546D+01
      2   0.142329D+01  0.183422D+02  0.520224D+01  0.213621D+02 -0.155567D+02
      3  -0.745012D+01 -0.486369D+01  0.666397D+01 -0.754006D+01  0.166722D+02
      4  -0.957037D+01 -0.110917D+02  0.784034D+01 -0.162005D+02  0.354777D+02
      5  -0.977070D+01 -0.239468D+01 -0.105070D+02 -0.210209D+01 -0.192489D+02
      6   0.828179D+01 -0.380036D+01  0.276476D+01 -0.985489D+01  0.210147D+02
                96            97            98            99           100 
      1  -0.792081D+01 -0.870117D+01 -0.812593D+01 -0.590138D+01 -0.300586D+02
      2   0.178724D+02  0.364580D+01  0.152017D+02  0.182312D+01  0.121789D+02
      3  -0.995158D+01  0.505536D+01 -0.707573D+01  0.407826D+01  0.178797D+02
      4  -0.178818D+02  0.465515D+01 -0.118939D+02  0.194573D+01  0.338859D+02
      5  -0.210048D+01 -0.880358D+01 -0.875209D+00  0.178243D+01  0.247667D+02
      6  -0.373612D+01  0.270293D+01 -0.499555D+01 -0.362230D+01 -0.153355D+02
               101           102           103           104           105 
      1   0.204420D+02  0.214905D+02  0.161345D+02  0.951529D+01  0.574484D+01
      2  -0.162979D+02 -0.107720D+02 -0.146729D+02 -0.871746D+00 -0.110692D+02
      3  -0.414409D+01 -0.107185D+02 -0.146159D+01 -0.864354D+01  0.532439D+01
      4  -0.520367D+01 -0.150465D+02 -0.681176D+00 -0.114031D+02  0.787590D+01
      5  -0.744090D+01 -0.390851D+01 -0.139870D+01  0.804462D+01  0.360860D+01
      6  -0.428790D+01 -0.123650D+01 -0.379181D+01 -0.955943D+01 -0.102766D+02
               106           107           108           109           110 
      1   0.174383D+02  0.455272D+01  0.118532D+01 -0.144442D+01 -0.106903D+02
      2  -0.977387D+01 -0.864844D+01 -0.524945D+01  0.611783D+00  0.853256D+01
      3  -0.766444D+01  0.409572D+01  0.406413D+01  0.832638D+00  0.215779D+01
      4  -0.916007D+01  0.493947D+01  0.286521D+01 -0.232557D+02 -0.275521D+00
      5  -0.529912D+01  0.314630D+01 -0.381349D+01 -0.786468D+01  0.716827D+01
      6  -0.404507D+00 -0.850893D+01  0.129876D+01  0.617759D+01  0.289252D+01
               111           112           113           114           115 
      1  -0.239110D+01 -0.127898D+02 -0.650551D+01  0.218167D+01 -0.161437D+01
      2   0.289536D+01  0.806208D+01  0.311802D+00  0.629173D+00  0.927952D+00
      3  -0.504265D+00  0.472771D+01  0.619371D+01 -0.281084D+01  0.686416D+00
      4   0.910273D+01  0.629222D+01 -0.336070D+01 -0.903413D+01  0.489151D+01
      5   0.700687D+01  0.755147D+01 -0.406289D+01 -0.190610D+01  0.417259D+01
      6  -0.210953D+01  0.950677D+00  0.195405D+01  0.369467D+01 -0.106250D+01
               116           117           118           119           120 
      1   0.133226D+01  0.711383D+01  0.831640D+02 -0.108411D+01 -0.216294D+02
      2  -0.212430D+01  0.949769D+01 -0.479285D+02  0.160725D+01  0.145200D+02
      3   0.792034D+00 -0.166115D+02 -0.352355D+02 -0.523147D+00  0.710940D+01
      4  -0.396209D+01 -0.420856D+01  0.104692D+02  0.801812D+01 -0.247210D+01
      5  -0.169661D+01  0.815781D+01 -0.332475D+02  0.454670D+00  0.187593D+02
      6   0.464722D+01 -0.307779D+01 -0.362186D+01 -0.163475D+01  0.299603D+01
               121           122           123           124           125 
      1  -0.143690D+02  0.734925D+01  0.509521D+01 -0.177465D+02  0.105575D+01
      2   0.993811D+01 -0.399217D+01 -0.472250D+01  0.142619D+02 -0.177195D+01
      3   0.443093D+01 -0.335708D+01 -0.372707D+00  0.348463D+01  0.716200D+00
      4   0.946843D+01 -0.860976D+00 -0.443467D+01 -0.273201D+01 -0.343379D+01
      5   0.632195D+01 -0.571303D+01 -0.276011D+01  0.227154D+02  0.233907D+00
      6  -0.253308D+01 -0.931914D+00  0.274505D+01  0.318268D+01  0.275068D+01
               126           127           128           129           130 
      1   0.134212D+02  0.131077D+01  0.545016D+01 -0.744218D+01  0.450211D+01
      2  -0.110387D+02  0.563640D-01 -0.375808D+01  0.378424D+01 -0.141721D+01
      3  -0.238242D+01 -0.136713D+01 -0.169209D+01  0.365794D+01 -0.308491D+01
      4   0.216886D+01  0.222316D+01  0.167194D-01 -0.127484D+01  0.727689D+01
      5  -0.135230D+02 -0.498738D+01 -0.757901D+00  0.625839D+00 -0.345955D+01
      6  -0.162893D+01 -0.341248D+01  0.284421D+01 -0.197381D+01 -0.215219D+01
               131           132           133           134           135 
      1  -0.133711D+02  0.750402D+01 -0.627580D+01  0.528624D+01 -0.648482D+01
      2   0.182577D+02 -0.643341D+01  0.353157D+01 -0.311914D+01  0.187188D+01
      3  -0.488664D+01 -0.107060D+01  0.274424D+01 -0.216710D+01  0.461294D+01
      4   0.227353D+02 -0.106525D+02 -0.448078D+01 -0.880324D+01  0.809589D+01
      5  -0.106879D+02  0.120504D+02  0.512442D+01  0.855723D+01 -0.107065D+02
      6  -0.170114D+02  0.127860D+02  0.154861D+01  0.112615D+02 -0.110291D+02
               136           137           138           139           140 
      1   0.344419D+02  0.170318D+02  0.101253D+02  0.209006D+02  0.124754D+02
      2  -0.129330D+02 -0.360746D+01 -0.471904D+01 -0.251481D+01  0.460909D+01
      3  -0.215090D+02 -0.134244D+02 -0.540623D+01 -0.183858D+02 -0.170844D+02
      4   0.317539D+02  0.233847D+02  0.974785D+01  0.342131D+02  0.345819D+02
      5   0.184738D+02  0.964431D+01  0.129204D+02  0.137525D+02  0.151743D+02
      6   0.834809D+01  0.588059D+01  0.482269D+01  0.101686D+02  0.117630D+02
               141           142           143           144           145 
      1   0.420997D+01  0.875850D+01  0.255211D+01  0.643019D+01  0.149963D+02
      2   0.415708D+00 -0.556053D+01 -0.100102D+01 -0.405251D+01 -0.999537D+01
      3  -0.462568D+01 -0.319796D+01 -0.155109D+01 -0.237768D+01 -0.500098D+01
      4   0.149133D+02  0.103257D+02  0.107689D+02  0.112518D+02 -0.519126D+01
      5   0.105813D+02  0.169456D+02  0.106742D+02  0.117075D+02  0.122236D+02
      6   0.857104D+01  0.772365D+01  0.850600D+01  0.694231D+01 -0.876113D+00
               146           147           148           149           150 
      1  -0.619879D+01  0.843699D+01 -0.135090D+02  0.840580D+01 -0.357031D+01
      2   0.457624D+01 -0.617887D+01  0.104813D+02 -0.712680D+01  0.664127D+01
      3   0.162256D+01 -0.225812D+01  0.302765D+01 -0.127900D+01 -0.307095D+01
      4   0.780930D+01 -0.172982D+01  0.112712D+02 -0.158985D+02  0.106192D+02
      5  -0.396540D+01  0.100293D+02 -0.916107D+01  0.126753D+02 -0.141791D+02
      6   0.198273D+01 -0.159511D+00  0.428932D+01 -0.576936D+01  0.340485D+01
               151           152           153           154           155 
      1   0.940245D+01 -0.785893D+00  0.445159D+01  0.569479D+01 -0.527839D+01
      2  -0.853724D+01  0.417332D+01 -0.904868D+01  0.395256D+01 -0.508285D+01
      3  -0.865206D+00 -0.338743D+01  0.459709D+01 -0.964735D+01  0.103612D+02
      4  -0.101111D+01  0.720536D+01 -0.612142D+01 -0.176143D+02  0.198779D+02
      5   0.122947D+02 -0.776933D+01  0.152058D+02  0.779119D+01 -0.595609D+01
      6  -0.761656D+00  0.410331D+01 -0.222473D+01 -0.667002D+01  0.499518D+01
               156           157           158           159           160 
      1   0.361998D+01 -0.108833D+01 -0.136593D+02  0.594352D+01  0.155406D+01
      2  -0.388910D+00 -0.142244D+02  0.426187D+02 -0.122884D+02  0.805846D+00
      3  -0.323107D+01  0.153128D+02 -0.289594D+02  0.634487D+01 -0.235991D+01
      4  -0.668903D+01  0.285096D+02 -0.489151D+02  0.156507D+02 -0.804127D+01
      5   0.685650D+01 -0.811163D+01  0.156495D+02 -0.987289D+01  0.922582D+01
      6  -0.411874D+01  0.105264D+02 -0.248017D+02  0.146527D+02 -0.802580D+01
               161           162           163           164           165 
      1   0.538875D+01 -0.304387D+01  0.251964D+02  0.687254D+01  0.106018D+02
      2  -0.804703D+01  0.542338D+01 -0.191357D+02 -0.724288D+01 -0.969698D+01
      3   0.265828D+01 -0.237950D+01 -0.606070D+01  0.370342D+00 -0.904779D+00
      4   0.129383D+02 -0.116783D+02 -0.308606D+01  0.538617D+01 -0.213550D+01
      5  -0.109774D+02  0.818114D+01  0.170708D+02  0.311770D+01  0.141182D+02
      6   0.162428D+02 -0.108991D+02 -0.294523D+01  0.173481D+01 -0.426617D+01
               166           167           168           169           170 
      1   0.146726D+02  0.709933D+01  0.597533D+01  0.888384D+01  0.189383D+01
      2  -0.136547D+02 -0.692700D+01 -0.969188D+01 -0.939047D+01 -0.536403D+01
      3  -0.101797D+01 -0.172328D+00  0.371655D+01  0.506631D+00  0.347020D+01
      4   0.319329D+01  0.374181D+01  0.512938D+01 -0.390823D+01  0.524378D+01
      5   0.879146D+01  0.846472D+01  0.975963D+01  0.141092D+02  0.364200D+01
      6   0.189075D+01 -0.425871D+00 -0.687126D+00 -0.337656D+01  0.228665D+01
               171           172           173           174           175 
      1   0.679266D+01  0.577548D+02 -0.148918D+02 -0.160844D+02 -0.372272D+01
      2  -0.114154D+02 -0.257769D+02  0.254956D+01  0.937813D+01 -0.365799D+01
      3   0.462269D+01 -0.319779D+02  0.123423D+02  0.670631D+01  0.738071D+01
      4  -0.428219D+00 -0.453381D+02  0.220552D+02  0.135206D+02  0.154389D+02
      5   0.149272D+02 -0.285280D+02  0.870761D+01  0.163210D+02  0.293861D+01
      6  -0.376290D+01  0.136908D+02 -0.573617D+01 -0.860633D+01 -0.432178D+01
               176           177           178           179           180 
      1   0.521763D+01 -0.705064D+00 -0.114660D+02  0.142026D+01  0.831905D+01
      2   0.140677D+01  0.306689D+01  0.852474D+01  0.568657D+00 -0.593504D+01
      3  -0.662441D+01 -0.236183D+01  0.294129D+01 -0.198891D+01 -0.238401D+01
      4  -0.117281D+02 -0.522892D+01  0.116670D+02 -0.637058D+01 -0.101602D+02
      5  -0.570035D+01 -0.285347D+01  0.185848D+02 -0.677568D+01 -0.118562D+02
      6   0.537636D+01  0.516057D+01 -0.972454D+01  0.686358D+01  0.665728D+01
               181           182           183           184           185 
      1  -0.489938D+01 -0.123189D+02 -0.949313D+01 -0.673238D+01 -0.203305D+02
      2   0.510435D+01  0.125685D+02  0.570576D+01  0.556918D+01  0.264077D+02
      3  -0.204966D+00 -0.249652D+00  0.378737D+01  0.116320D+01 -0.607715D+01
      4   0.123472D+01  0.715086D+00  0.349466D+01  0.473255D+01 -0.826822D+01
      5  -0.185839D+01  0.115620D+01 -0.114944D+01  0.177129D+01 -0.484990D+01
      6   0.686686D+01  0.768026D+01  0.771914D+01  0.202591D+01  0.180134D+02
               186           187           188           189           190 
      1  -0.101183D+02 -0.547996D+01 -0.885594D+01 -0.109720D+02 -0.188009D+01
      2   0.105433D+02  0.211405D+01  0.790881D+01  0.637273D+01  0.148989D+02
      3  -0.424984D+00  0.336591D+01  0.947128D+00  0.459931D+01 -0.130188D+02
      4  -0.429617D+01  0.489768D+01 -0.557636D+01 -0.278949D+01  0.257470D+02
      5  -0.629980D+01  0.246247D+01 -0.492028D+01 -0.568944D+01  0.794506D+01
      6   0.145897D+02  0.208681D+01  0.139421D+02  0.142929D+02  0.133557D+02
               191           192           193           194           195 
      1  -0.855208D+01 -0.244868D+01 -0.688650D+01 -0.227440D+02 -0.739038D+01
      2   0.258036D+02  0.632467D+01  0.191891D+02  0.483067D+02  0.133584D+02
      3  -0.172515D+02 -0.387600D+01 -0.123026D+02 -0.255627D+02 -0.596804D+01
      4   0.301549D+02  0.128151D+02  0.200674D+02  0.311342D+02  0.925474D+01
      5   0.856073D+01  0.665115D+01  0.484761D+01  0.760041D+01  0.399898D+01
      6   0.141726D+02  0.975953D+01  0.954214D+01  0.226715D+02  0.148619D+02
               196           197           198           199           200 
      1  -0.265963D+01 -0.842553D+01 -0.679998D+01 -0.405009D+01  0.768670D+01
      2   0.378082D+01  0.117992D+02  0.917666D+01  0.598335D+01 -0.110999D+02
      3  -0.112118D+01 -0.337364D+01 -0.237668D+01 -0.193326D+01  0.341316D+01
      4   0.879596D+01  0.935139D+01  0.950739D+01 -0.201859D+02  0.124020D+02
      5   0.626400D+01  0.631627D+01  0.535249D+01 -0.833510D+01  0.467134D+01
      6   0.926590D+01  0.191989D+02  0.125270D+02  0.133933D+02 -0.832935D+01
               201           202           203           204           205 
      1   0.439379D+01  0.290957D+01 -0.684855D+01 -0.494240D+01  0.324236D+01
      2  -0.163490D+01 -0.492600D+01  0.111690D+02  0.757506D+01  0.117186D-01
      3  -0.275888D+01  0.201643D+01 -0.432040D+01 -0.263266D+01 -0.325408D+01
      4   0.119491D+02  0.735462D+01 -0.541927D+01 -0.201695D+01  0.797236D+01
      5   0.538331D+01  0.170123D+01 -0.151562D+01 -0.772478D+00  0.535420D+01
      6  -0.147943D+02 -0.348488D+01  0.103963D+02  0.803836D+01 -0.868822D+01
               206           207           208           209           210 
      1  -0.760773D+01 -0.723452D+01 -0.519583D+01  0.127776D+02 -0.527320D+01
      2   0.890385D+01  0.261993D+01  0.961317D+01 -0.212901D+02  0.657475D+01
      3  -0.129612D+01  0.461459D+01 -0.441734D+01  0.851250D+01 -0.130155D+01
      4  -0.227576D+01 -0.766407D+01 -0.503916D+01  0.125551D+02 -0.580631D+01
      5  -0.167844D+01 -0.420014D+01  0.494029D+00 -0.337174D+01  0.298583D+01
      6   0.110420D+02  0.148025D+02 -0.705567D+01  0.941373D+01 -0.483996D+01
               211           212           213           214           215 
      1   0.518907D+01 -0.467847D+02  0.139548D+02 -0.270985D+01  0.141748D+02
      2  -0.874351D+01  0.809832D+02 -0.209504D+02  0.245554D+01 -0.177228D+02
      3   0.355444D+01 -0.341985D+02  0.699555D+01  0.254318D+00  0.354799D+01
      4   0.834392D+01 -0.418910D+01  0.155642D+01 -0.384773D+01  0.102037D+01
      5  -0.171374D+01  0.946426D-01  0.912446D+00  0.264665D+01  0.530748D+00
      6   0.371820D+01 -0.321250D+02  0.184924D+02 -0.241732D+01  0.227935D+02
               216           217           218           219           220 
      1  -0.111696D+02  0.124755D+02 -0.150710D+01 -0.391000D+01 -0.189914D+01
      2   0.135525D+02 -0.825842D+01  0.498140D+01  0.543629D+01  0.396925D+01
      3  -0.238290D+01 -0.421710D+01 -0.347430D+01 -0.152629D+01 -0.207011D+01
      4  -0.108310D+01  0.249962D+02  0.932203D+01 -0.120227D+02  0.187139D+01
      5   0.157504D+00 -0.154117D+02 -0.335759D+01  0.112739D+02  0.123263D+01
      6  -0.135965D+02 -0.121685D+02 -0.462428D+01  0.134663D+02 -0.127421D+01
               221           222           223           224           225 
      1  -0.121507D+01  0.344028D+01 -0.126820D+01  0.441832D+01 -0.374358D+00
      2   0.327568D+01 -0.693759D+01  0.377109D+01 -0.685888D+01 -0.422733D+01
      3  -0.206061D+01  0.349731D+01 -0.250289D+01  0.244056D+01  0.460169D+01
      4   0.308523D+01 -0.136304D+01 -0.911554D+01 -0.429905D+01  0.890546D+01
      5  -0.278529D+01 -0.554682D+00  0.984846D+01  0.217138D+01 -0.953683D+01
      6  -0.606886D+01  0.216058D+01  0.918301D+01  0.655608D+01 -0.120723D+02
               226           227           228           229           230 
      1   0.125669D+02  0.178899D+01 -0.147022D+01 -0.214835D+01  0.204059D+01
      2  -0.409674D+01 -0.771194D+01  0.486499D+00 -0.163458D+01  0.297840D+01
      3  -0.847019D+01  0.592295D+01  0.983721D+00  0.378293D+01 -0.501899D+01
      4  -0.239014D+02  0.108677D+02 -0.437833D+01  0.917379D+01 -0.712420D+01
      5   0.110018D+02 -0.482846D+01  0.458124D+01 -0.250619D+01  0.139111D+01
      6  -0.381812D+01  0.673129D+01 -0.553699D+01  0.155170D+01 -0.229574D-01
               231           232           233           234           235 
      1  -0.123285D+01 -0.111236D+01 -0.347847D+01  0.130797D+01 -0.643509D+00
      2   0.123889D+01 -0.166402D+01  0.617093D+01 -0.330972D+01 -0.221988D+01
      3  -0.603763D-02  0.277638D+01 -0.269246D+01  0.200175D+01  0.286339D+01
      4   0.142736D+01  0.220093D+01 -0.512920D+00 -0.316330D+01 -0.126493D+01
      5  -0.130022D+01  0.229256D+01 -0.656663D+00  0.183624D+01  0.164369D+01
      6   0.129215D+01 -0.264262D+01 -0.613013D+00 -0.563551D+00 -0.246780D+01
               236           237           238           239           240 
      1  -0.295286D+01  0.194331D+01 -0.180553D+01  0.870269D+00 -0.152053D+01
      2   0.286233D+01 -0.626234D+00  0.107883D+01 -0.365418D+01 -0.332290D+01
      3   0.905280D-01 -0.131708D+01  0.726698D+00  0.278392D+01  0.484343D+01
      4   0.248621D+01 -0.308671D+01  0.337868D+00 -0.144369D+00  0.426794D-01
      5  -0.970192D+00  0.516688D+01 -0.111559D+00 -0.114128D+01  0.110111D+01
      6  -0.113369D+01  0.104886D+01 -0.845126D+00  0.401713D+00  0.128736D+01
               241           242           243           244           245 
      1  -0.102799D+01  0.646331D+01 -0.172356D+02  0.297255D+02 -0.204803D+01
      2  -0.332790D+01 -0.381298D+01 -0.194716D+02 -0.183145D+02  0.532694D+01
      3   0.435590D+01 -0.265033D+01  0.367072D+02 -0.114111D+02 -0.327891D+01
      4  -0.387937D+01  0.187083D+00 -0.342657D+01  0.163084D+02  0.652242D+01
      5   0.441082D+01 -0.101173D+01  0.577548D+01  0.136103D+02  0.191580D+01
      6  -0.362161D+01  0.764871D+01 -0.235602D+02  0.103354D+01  0.372005D+01
               246           247           248           249           250 
      1   0.246901D+01 -0.745675D+00  0.452260D+01  0.101154D+01 -0.189944D+01
      2  -0.338497D+01  0.189006D+01 -0.242708D+01 -0.637442D+00 -0.169773D+01
      3   0.915956D+00 -0.114439D+01 -0.209553D+01 -0.374098D+00  0.359717D+01
      4   0.353643D+01  0.177429D+01  0.565208D-01 -0.132619D+01 -0.307903D+01
      5   0.650111D+01 -0.219812D+01 -0.715452D+00 -0.868389D+00  0.302200D+01
      6   0.337188D+01 -0.175953D+00 -0.224423D+01 -0.650266D+00  0.112838D+01
               251           252           253           254           255 
      1   0.264364D+01  0.287230D+01  0.200104D+01  0.315925D+01  0.415233D+01
      2  -0.407399D+01 -0.485860D+01 -0.456278D+01 -0.316258D+01 -0.109681D+01
      3   0.143034D+01  0.198629D+01  0.256174D+01  0.332931D-02 -0.305552D+01
      4  -0.281234D+01  0.598952D+00 -0.307536D+00 -0.787290D+00  0.143195D+01
      5  -0.864362D+00  0.189726D+01  0.201528D+01 -0.869507D+00  0.384025D+01
      6  -0.134622D+01 -0.205918D+00  0.627412D+00 -0.164693D+01 -0.209356D+01
               256           257           258           259           260 
      1   0.922527D+00 -0.167460D+01  0.243958D+00 -0.572968D+00 -0.498031D+01
      2  -0.282727D+00 -0.140601D+01  0.372375D+01 -0.447655D+01  0.420434D+01
      3  -0.639801D+00  0.308060D+01 -0.396770D+01  0.504951D+01  0.775965D+00
      4  -0.127832D+01 -0.844007D+00  0.124685D+00  0.322485D+01  0.273505D+01
      5  -0.155589D+01 -0.760750D+00 -0.216354D+01  0.652416D+01  0.147302D+01
      6  -0.105941D+01  0.109676D+01  0.261206D+01  0.409174D+01  0.553378D+01
               261           262           263           264           265 
      1  -0.151367D+02  0.224504D+02  0.873399D+01 -0.242365D+01  0.137632D+02
      2  -0.215701D+02 -0.123751D+02 -0.588305D+01  0.292666D+01 -0.877081D+01
      3   0.367068D+02 -0.100752D+02 -0.285094D+01 -0.503006D+00 -0.499234D+01
      4   0.163733D+01  0.982003D+01  0.102055D+02 -0.222697D+01  0.671147D+01
      5   0.143582D+02 -0.742860D+01 -0.340388D+01  0.506868D+01 -0.904010D+01
      6   0.195419D+02 -0.376242D+01 -0.362868D+01  0.100865D+01 -0.305404D+01
               266           267           268           269           270 
      1   0.718300D+01 -0.297212D+01  0.534389D+01  0.863892D+00  0.575922D+00
      2  -0.377547D+01  0.382553D+01 -0.162830D+01  0.197164D+00 -0.257627D+01
      3  -0.340753D+01 -0.853412D+00 -0.371559D+01 -0.106106D+01  0.200035D+01
      4   0.125507D+02 -0.278755D+00 -0.298390D+01  0.271328D+01  0.358403D+01
      5  -0.210149D+01  0.526137D+01  0.153511D+01  0.307960D+01 -0.139880D+01
      6  -0.507444D+01  0.799568D+00  0.108830D+01  0.155370D+00 -0.131305D+01
               271           272           273           274           275 
      1  -0.168916D+01  0.486459D+00 -0.386576D+01  0.129257D+01 -0.144431D+01
      2  -0.756414D+00  0.453732D-03 -0.994485D+00 -0.144115D+01 -0.174780D+01
      3   0.244557D+01 -0.486912D+00  0.486024D+01  0.148584D+00  0.319211D+01
      4   0.409014D+01 -0.185322D+00 -0.670622D+00  0.216473D+01 -0.753843D+00
      5   0.465589D+00 -0.129582D+01  0.131470D+01 -0.147094D+01 -0.249448D+01
      6  -0.288929D+00 -0.460513D+00  0.111854D+01 -0.134988D+01  0.891411D+00
               276           277           278           279           280 
      1  -0.878733D+00 -0.152002D+01  0.169727D+00 -0.159569D+02 -0.460578D+01
      2   0.215116D+01  0.598405D+01  0.226603D+01 -0.207544D+02  0.710646D+01
      3  -0.127243D+01 -0.446403D+01 -0.243576D+01  0.367113D+02 -0.250068D+01
      4  -0.267799D+01  0.230415D+01 -0.471067D+01  0.267705D+01  0.905639D+01
      5   0.115946D+01  0.883330D+01  0.105577D+01 -0.232707D+02 -0.404559D+01
      6   0.513088D+01 -0.154638D+01  0.321786D+01  0.678376D+01 -0.109957D+01
               281           282           283           284           285 
      1  -0.883700D+01  0.328038D+01 -0.700763D+01 -0.166049D+02  0.385287D+01
      2   0.128422D+02 -0.250359D+01  0.886816D+01  0.276294D+02 -0.324154D+01
      3  -0.400521D+01 -0.776789D+00 -0.186053D+01 -0.110244D+02 -0.611337D+00
      4   0.409741D+01  0.813786D+00  0.849137D+01  0.655877D+01 -0.134821D+01
      5  -0.201220D+01  0.525952D-01 -0.331672D+01 -0.343959D+01  0.344037D+00
      6  -0.844238D+01  0.458643D+01 -0.294232D+01 -0.943833D+01  0.578552D+01
               286           287           288           289           290 
      1  -0.430440D+00 -0.829819D+00 -0.344507D+01 -0.131397D+01 -0.190000D+01
      2   0.989089D+00  0.467023D+01  0.146159D+01 -0.191464D+01  0.164421D+01
      3  -0.558648D+00 -0.384041D+01  0.198349D+01  0.322861D+01  0.255793D+00
      4   0.301527D+01 -0.341456D+01  0.304828D+01 -0.865116D+00  0.106969D+01
      5  -0.373226D+00  0.828564D+00 -0.112119D+01  0.136032D+01 -0.920081D+00
      6   0.282083D+01  0.204325D+01 -0.153894D+01 -0.193045D+01 -0.196154D+01
               291           292           293           294           295 
      1   0.290296D+01  0.127511D+00 -0.208962D+01 -0.475410D+00  0.275737D+01
      2  -0.976500D+00  0.263638D+00 -0.328821D+00 -0.413047D+01 -0.890848D+00
      3  -0.192646D+01 -0.391148D+00  0.241844D+01  0.460588D+01 -0.186652D+01
      4  -0.214286D+01 -0.893547D+00  0.418207D+01 -0.562235D+00 -0.466877D+01
      5   0.475458D+01 -0.687747D-01 -0.507359D+00  0.155803D+01  0.336556D+01
      6   0.164706D+01 -0.165255D+01 -0.292498D-01  0.170057D+01  0.357601D+00
               296           297           298           299           300 
      1   0.569119D+01 -0.213880D+02 -0.330133D+01  0.382743D+01  0.281103D+00
      2  -0.916817D+00 -0.153029D+02  0.497346D+01 -0.396339D+01  0.200757D+00
      3  -0.477438D+01  0.366908D+02 -0.167212D+01  0.135959D+00 -0.481860D+00
      4   0.260265D+01  0.197411D+01 -0.188424D+01  0.560763D+00 -0.181994D+01
      5  -0.227002D+01  0.972944D+01 -0.258028D+01 -0.120667D+00 -0.844483D+00
      6   0.870039D+01 -0.222270D+02 -0.763991D+00 -0.411194D+01 -0.184318D+01
               301           302           303           304           305 
      1   0.595176D+01 -0.207730D+02 -0.422503D+01 -0.307007D+01 -0.134560D+01
      2  -0.394271D+01  0.325695D+02  0.337063D+01  0.212534D+01 -0.239673D+01
      3  -0.200904D+01 -0.117964D+02  0.854400D+00  0.944724D+00  0.374233D+01
      4   0.572672D+01  0.105648D+02  0.244890D+01 -0.317254D+01 -0.337625D+01
      5   0.319533D+01 -0.300345D+00  0.240503D+01 -0.130632D+01  0.558328D+00
      6   0.486630D+00  0.134472D+02  0.671916D+01 -0.143483D+01  0.299102D+01
               306           307           308           309           310 
      1  -0.489278D+01 -0.889011D+00  0.515124D+00  0.378147D+01 -0.239941D+01
      2   0.289309D+01 -0.225945D+01  0.425778D-01 -0.244408D+00  0.232176D+01
      3   0.199968D+01  0.314846D+01 -0.557702D+00 -0.353706D+01  0.776458D-01
      4  -0.419700D+00 -0.420404D+00 -0.128539D+01  0.471243D+00 -0.148827D+01
      5  -0.437083D+00  0.146559D+01 -0.700712D+00  0.318434D+01 -0.138180D+01
      6   0.187089D+01 -0.213813D+00 -0.198266D+01 -0.224678D+01 -0.138523D+01
               311           312           313           314           315 
      1  -0.467104D+01 -0.872799D+00  0.398664D+01 -0.473137D+01 -0.218697D+02
      2   0.218620D+01  0.445138D+01 -0.410456D+01 -0.346233D+00 -0.148419D+02
      3   0.248484D+01 -0.357858D+01  0.117925D+00  0.507760D+01  0.367116D+02
      4  -0.153696D+01  0.772631D+00  0.345549D+01  0.308410D+01  0.734050D+00
      5   0.600037D-01 -0.220485D+01  0.483515D+01  0.385250D+01  0.175097D+02
      6   0.165704D+01  0.325077D+01  0.125222D+01  0.720881D+01  0.167445D+02
               316           317           318           319           320 
      1   0.663465D+01 -0.346649D+01  0.611080D+00 -0.980965D+01  0.571147D+00
      2  -0.290218D+00 -0.604936D+00 -0.482230D+00  0.359896D+01  0.658606D+01
      3  -0.634444D+01  0.407143D+01 -0.128850D+00  0.621069D+01 -0.715721D+01
      4  -0.944278D+01  0.110137D+02  0.219912D+01  0.113638D+02 -0.225745D+02
      5  -0.147737D+01  0.235626D+01  0.222460D+01  0.779415D+01 -0.395181D+01
      6   0.233049D+01 -0.335138D+01 -0.160682D+01 -0.496329D+01  0.946646D+01
               321           322           323           324           325 
      1   0.167362D+01  0.637449D+01 -0.141780D+01 -0.240669D+01 -0.390207D+01
      2  -0.264948D+01 -0.334028D+01 -0.983428D+00  0.412343D+00  0.122361D+01
      3   0.975868D+00 -0.303421D+01  0.240123D+01  0.199434D+01  0.267846D+01
      4  -0.371405D+01  0.481787D+00  0.214546D+01 -0.365262D+01 -0.123609D+01
      5  -0.584015D+01 -0.132589D+00 -0.295694D+01 -0.788878D+00  0.726396D+00
      6   0.363479D+01 -0.969942D+00  0.181688D+01  0.175114D+01 -0.868654D+00
               326           327           328           329           330 
      1   0.684439D+00 -0.329723D+01  0.184936D+01 -0.148743D+01 -0.206694D+00
      2  -0.138420D+01 -0.167362D+01 -0.191183D+01 -0.147680D+01  0.881902D+00
      3   0.699758D+00  0.497085D+01  0.624647D-01  0.296423D+01 -0.675209D+00
      4   0.720081D+00  0.243310D+00  0.318161D+01 -0.906706D+00 -0.330782D+01
      5  -0.378967D+00  0.107144D+01 -0.543996D+00 -0.284402D+01  0.505343D+00
      6  -0.513661D+00  0.558345D+00 -0.140109D+01  0.108785D+01  0.537238D+01
               331           332           333 
      1  -0.335275D+01 -0.274401D+01 -0.185473D+02
      2   0.654458D+01 -0.122916D+01 -0.181616D+02
      3  -0.319183D+01  0.397318D+01  0.367089D+02
      4  -0.613297D+00 -0.416119D+01 -0.359884D+01
      5   0.818953D+01 -0.312203D+01 -0.241005D+02
      6  -0.511415D+00  0.386715D+01  0.264552D+01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Thu Jul  8 21:39:44 2021, MaxMem= 10737418240 cpu:          121602.7 elap:            7608.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -14.80820 -14.80819 -14.80819 -14.80818 -14.80818
 Alpha  occ. eigenvalues --  -14.80817 -10.62978 -10.62978 -10.62978 -10.62956
 Alpha  occ. eigenvalues --  -10.62956 -10.62955  -3.67216  -2.44590  -2.44590
 Alpha  occ. eigenvalues --   -2.44182  -1.37270  -1.36163  -1.36162  -1.33711
 Alpha  occ. eigenvalues --   -1.33710  -1.33672  -1.15682  -1.15499  -1.15498
 Alpha  occ. eigenvalues --   -1.03929  -1.03927  -1.02907  -0.96495  -0.96120
 Alpha  occ. eigenvalues --   -0.96118  -0.95949  -0.93998  -0.93997  -0.93470
 Alpha  occ. eigenvalues --   -0.93448  -0.93448  -0.87328  -0.87327  -0.86435
 Alpha  occ. eigenvalues --   -0.85949  -0.85737  -0.85736  -0.83808  -0.82774
 Alpha  occ. eigenvalues --   -0.82773  -0.79068  -0.79067  -0.78524  -0.77227
 Alpha  occ. eigenvalues --   -0.77226  -0.76688  -0.75169  -0.74191  -0.74190
 Alpha  occ. eigenvalues --   -0.71063  -0.71062  -0.70809
 Alpha virt. eigenvalues --   -0.47661  -0.47656  -0.41288  -0.38963  -0.38279
 Alpha virt. eigenvalues --   -0.38277  -0.34696  -0.34567  -0.34567  -0.32880
 Alpha virt. eigenvalues --   -0.32879  -0.32481  -0.30883  -0.30882  -0.29583
 Alpha virt. eigenvalues --   -0.29283  -0.29282  -0.28516  -0.27914  -0.27832
 Alpha virt. eigenvalues --   -0.27832  -0.26560  -0.26081  -0.26078  -0.25142
 Alpha virt. eigenvalues --   -0.25141  -0.23937  -0.23851  -0.23850  -0.23741
 Alpha virt. eigenvalues --   -0.23740  -0.22040  -0.21976  -0.21573  -0.21572
 Alpha virt. eigenvalues --   -0.21221  -0.20684  -0.20682  -0.20309  -0.20294
 Alpha virt. eigenvalues --   -0.20290  -0.19713  -0.19652  -0.19650  -0.19011
 Alpha virt. eigenvalues --   -0.18468  -0.18467  -0.18173  -0.17883  -0.17483
 Alpha virt. eigenvalues --   -0.16954  -0.16953  -0.16712  -0.16329  -0.16327
 Alpha virt. eigenvalues --   -0.15907  -0.15628  -0.15628  -0.15471  -0.15403
 Alpha virt. eigenvalues --   -0.15401  -0.14556  -0.14554  -0.13995  -0.13267
 Alpha virt. eigenvalues --   -0.13267  -0.13184  -0.12643  -0.12442  -0.12440
 Alpha virt. eigenvalues --   -0.12394  -0.12393  -0.12060  -0.11949  -0.11603
 Alpha virt. eigenvalues --   -0.10920  -0.10754  -0.10753  -0.10717  -0.10570
 Alpha virt. eigenvalues --   -0.10569  -0.09517  -0.09515  -0.08939  -0.08508
 Alpha virt. eigenvalues --   -0.08506  -0.07864  -0.07863  -0.07794  -0.07152
 Alpha virt. eigenvalues --   -0.07151  -0.06331  -0.06185  -0.06182  -0.06064
 Alpha virt. eigenvalues --   -0.05329  -0.05328  -0.05092  -0.04892  -0.04359
 Alpha virt. eigenvalues --   -0.04359  -0.04057  -0.04055  -0.02610  -0.01666
 Alpha virt. eigenvalues --   -0.01665  -0.01434  -0.00678  -0.00677   0.00010
 Alpha virt. eigenvalues --    0.00525   0.00700   0.01127   0.01127   0.02225
 Alpha virt. eigenvalues --    0.02226   0.02514   0.02515   0.02653   0.03180
 Alpha virt. eigenvalues --    0.03494   0.03494   0.04500   0.04503   0.04650
 Alpha virt. eigenvalues --    0.04869   0.05087   0.05088   0.05273   0.05813
 Alpha virt. eigenvalues --    0.05818   0.06439   0.06442   0.08383   0.08385
 Alpha virt. eigenvalues --    0.09357   0.09445   0.09605   0.09609   0.10331
 Alpha virt. eigenvalues --    0.10398   0.10399   0.10526   0.11280   0.11281
 Alpha virt. eigenvalues --    0.12190   0.12194   0.12310   0.12689   0.12906
 Alpha virt. eigenvalues --    0.12908   0.14778   0.14968   0.14971   0.15205
 Alpha virt. eigenvalues --    0.15811   0.15818   0.16335   0.17106   0.17568
 Alpha virt. eigenvalues --    0.17570   0.18373   0.18375   0.19657   0.19657
 Alpha virt. eigenvalues --    0.19910   0.20589   0.20919   0.20921   0.22016
 Alpha virt. eigenvalues --    0.23413   0.23414   0.23538   0.23898   0.24282
 Alpha virt. eigenvalues --    0.24285   0.25163   0.25166   0.25745   0.25748
 Alpha virt. eigenvalues --    0.26983   0.27352   0.27493   0.27932   0.27933
 Alpha virt. eigenvalues --    0.28826   0.28826   0.29434   0.29680   0.29839
 Alpha virt. eigenvalues --    0.29844   0.30786   0.30791   0.32194   0.32199
 Alpha virt. eigenvalues --    0.33040   0.33582   0.33662   0.33663   0.34049
 Alpha virt. eigenvalues --    0.34050   0.35122   0.35127   0.35274   0.36213
 Alpha virt. eigenvalues --    0.37056   0.37057   0.37574   0.37576   0.37742
 Alpha virt. eigenvalues --    0.38544   0.38550   0.39003   0.39394   0.39395
 Alpha virt. eigenvalues --    0.39620   0.41558   0.42957   0.42969   0.42982
 Alpha virt. eigenvalues --    0.42989   0.44469   0.44473   0.46503   0.46505
 Alpha virt. eigenvalues --    0.47912   0.48032   0.48295   0.48298   0.49428
 Alpha virt. eigenvalues --    0.49429   0.49778   0.49782   0.50289   0.50659
 Alpha virt. eigenvalues --    0.52765   0.52769   0.53315   0.53397   0.55083
 Alpha virt. eigenvalues --    0.55086   0.55801   0.56359   0.56368   0.56868
 Alpha virt. eigenvalues --    0.56870   0.58381   0.58388   0.58570   0.60409
 Alpha virt. eigenvalues --    0.60418   0.62665   0.63004   0.64658   0.64832
 Alpha virt. eigenvalues --    0.64837   0.65351   0.66208   0.66216   0.67606
 Alpha virt. eigenvalues --    0.67608   0.67844   0.70200   0.70203   0.70753
 Alpha virt. eigenvalues --    0.71182   0.71186   0.73383   0.75624   0.75976
 Alpha virt. eigenvalues --    0.75978   0.78752   0.78759   0.82875   0.83437
 Alpha virt. eigenvalues --    0.83445   0.83693   0.83696   0.84303   0.85439
 Alpha virt. eigenvalues --    0.86595   0.86597   0.88888   0.88889   0.90777
 Alpha virt. eigenvalues --    0.92422   0.92908   0.92911   0.92965   0.96266
 Alpha virt. eigenvalues --    0.97917   0.97925   1.00886   1.04593   1.04598
 Alpha virt. eigenvalues --    1.06830   1.06831   1.08021   1.09825   1.09828
 Alpha virt. eigenvalues --    1.12665   1.12674   1.14376   1.15373   1.16259
 Alpha virt. eigenvalues --    1.16266   1.19699   1.19704   1.20046   1.22067
 Alpha virt. eigenvalues --    1.22078   1.23107   1.24563   1.24570   1.24767
 Alpha virt. eigenvalues --    1.27883   1.27886   1.29834   1.31612   1.31619
 Alpha virt. eigenvalues --    1.32057   1.34747   1.34748   1.34804   1.35429
 Alpha virt. eigenvalues --    1.35438   1.36901   1.36908   1.38174   1.38177
 Alpha virt. eigenvalues --    1.39173   1.39175   1.40376   1.42452   1.42464
 Alpha virt. eigenvalues --    1.43087   1.44331   1.44337   1.45038   1.46686
 Alpha virt. eigenvalues --    1.48683   1.48689   1.50385   1.50710   1.50711
 Alpha virt. eigenvalues --    1.51690   1.51696   1.53070   1.55024   1.55026
 Alpha virt. eigenvalues --    1.56950   1.56955   1.57871   1.57875   1.58302
 Alpha virt. eigenvalues --    1.58791   1.59449   1.60380   1.61122   1.61126
 Alpha virt. eigenvalues --    1.63313   1.64282   1.64376   1.64384   1.65680
 Alpha virt. eigenvalues --    1.68010   1.68762   1.68769   1.69226   1.69229
 Alpha virt. eigenvalues --    1.69723   1.70572   1.70581   1.74016   1.74022
 Alpha virt. eigenvalues --    1.75579   1.75867   1.75879   1.78129   1.78735
 Alpha virt. eigenvalues --    1.78744   1.81284   1.81702   1.81708   1.85415
 Alpha virt. eigenvalues --    1.86518   1.87005   1.87017   1.87971   1.87974
 Alpha virt. eigenvalues --    1.88250   1.89415   1.90531   1.90545   1.91666
 Alpha virt. eigenvalues --    1.93428   1.93433   1.96663   1.96671   2.00415
 Alpha virt. eigenvalues --    2.00566   2.00572   2.02164   2.02172   2.02801
 Alpha virt. eigenvalues --    2.05418   2.05722   2.05729   2.09499   2.10332
 Alpha virt. eigenvalues --    2.10465   2.11819   2.11830   2.12256   2.12262
 Alpha virt. eigenvalues --    2.13663   2.14284   2.14767   2.14771   2.18078
 Alpha virt. eigenvalues --    2.18085   2.18814   2.19701   2.19703   2.20871
 Alpha virt. eigenvalues --    2.21336   2.21340   2.21825   2.21830   2.24351
 Alpha virt. eigenvalues --    2.26168   2.26655   2.26661   2.27561   2.28304
 Alpha virt. eigenvalues --    2.28726   2.28731   2.30517   2.30522   2.31341
 Alpha virt. eigenvalues --    2.32205   2.32879   2.32884   2.34478   2.34478
 Alpha virt. eigenvalues --    2.36321   2.36325   2.36874   2.42538   2.42544
 Alpha virt. eigenvalues --    2.45349   2.47137   2.49894   2.49898   2.53620
 Alpha virt. eigenvalues --    2.53624   2.54477   2.58786   2.61245   2.61251
 Alpha virt. eigenvalues --    2.64870   2.64878   2.67297   2.67660   2.72614
 Alpha virt. eigenvalues --    2.74583   2.74588   2.79771   2.79779   2.85390
 Alpha virt. eigenvalues --    2.87235   2.88314   2.88341   2.92678   2.92686
 Alpha virt. eigenvalues --    2.97902   2.98636   2.99568   2.99570   3.07103
 Alpha virt. eigenvalues --    3.10927   3.10939   3.35567   3.35582   3.75685
 Alpha virt. eigenvalues --    5.83803   5.84063  45.04936
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    5.727076   0.313159   0.297397  -2.383447   1.654526   0.015970
     2  C    0.313159   5.729682   1.656342  -2.386627   0.299936  -0.063735
     3  N    0.297397   1.656342  11.327147  -9.760922   1.258169   0.350264
     4  Rh  -2.383447  -2.386627  -9.760922  85.471865  -9.750588  -9.747336
     5  N    1.654526   0.299936   1.258169  -9.750588  11.323317   0.370296
     6  N    0.015970  -0.063735   0.350264  -9.747336   0.370296  11.321806
     7  C   -0.063282  -0.101105  -0.063128  -2.385687  -0.031613   1.654801
     8  C    0.098840  -0.063191   0.016140  -2.382777   0.260979   0.299095
     9  N    0.261977  -0.031967   0.372282  -9.762136   1.081421   1.258632
    10  N   -0.063145   0.016061   0.374180  -9.767004   0.350540   1.081533
    11  C   -0.100799  -0.063426  -0.031818  -2.384607  -0.063457   0.261009
    12  C   -0.063396   0.098816   0.262121  -2.384350   0.015506  -0.031229
    13  N   -0.030987   0.260741   1.080936  -9.742282   0.370511   0.368530
    14  H    0.009527   0.003105   0.031080   0.726832   0.021907  -0.033223
    15  H   -0.015121   0.001858  -0.039256   0.389954  -0.058787   0.008373
    16  H   -0.001152  -0.003725  -0.002857   0.725336  -0.030203  -0.809221
    17  H   -0.005658   0.009008  -0.017394   0.391862   0.027983  -0.186664
    18  H   -0.003726  -0.001186  -0.030581   0.727169  -0.002891   0.021947
    19  H    0.009070  -0.005708   0.028597   0.390021  -0.017361  -0.058837
    20  H    0.002952   0.009592   0.021756   0.724171   0.031013  -0.030135
    21  H    0.001968  -0.015208  -0.058850   0.393361  -0.039027   0.027884
    22  H   -0.031962  -0.225426  -0.808617   0.726605  -0.033307  -0.002904
    23  H   -0.054376  -0.673586  -0.186382   0.391219   0.008096  -0.017358
    24  H   -0.224849  -0.031823  -0.033148   0.725566  -0.808742   0.031045
    25  H   -0.673057  -0.054843   0.008037   0.391776  -0.186798  -0.039118
    26  H   -0.148859   0.046326  -0.022774  -0.063852   0.264272  -0.033567
    27  H   -0.024417  -0.011157  -0.011599   0.202252   0.084550   0.003696
    28  H    0.046352  -0.149255   0.263507  -0.063397  -0.023283   0.019538
    29  H   -0.011332  -0.024387   0.083882   0.202380  -0.011375  -0.002312
    30  H    0.011598  -0.003162  -0.013864  -0.063841  -0.033513   0.083064
    31  H    0.027656   0.017861   0.034910   0.201460   0.003767  -0.104447
    32  H    0.006886   0.007039   0.083301  -0.063382   0.019516  -0.013965
    33  H   -0.002806  -0.018160  -0.104120   0.203082  -0.002295   0.034746
    34  H    0.007010   0.006892   0.019411  -0.063513   0.083042   0.264194
    35  H   -0.018135  -0.002856  -0.002344   0.201386  -0.104480   0.085265
    36  H   -0.003027   0.011459  -0.033642  -0.063066  -0.014002  -0.023244
    37  H    0.017814   0.027854   0.003918   0.202021   0.034888  -0.011349
               7          8          9         10         11         12
     1  C   -0.063282   0.098840   0.261977  -0.063145  -0.100799  -0.063396
     2  C   -0.101105  -0.063191  -0.031967   0.016061  -0.063426   0.098816
     3  N   -0.063128   0.016140   0.372282   0.374180  -0.031818   0.262121
     4  Rh  -2.385687  -2.382777  -9.762136  -9.767004  -2.384607  -2.384350
     5  N   -0.031613   0.260979   1.081421   0.350540  -0.063457   0.015506
     6  N    1.654801   0.299095   1.258632   1.081533   0.261009  -0.031229
     7  C    5.727332   0.312770   0.298536   0.262979   0.099042  -0.063230
     8  C    0.312770   5.727969   1.655164  -0.032641  -0.063211  -0.101116
     9  N    0.298536   1.655164  11.326288   0.374650   0.016607  -0.063443
    10  N    0.262979  -0.032641   0.374650  11.330143   1.655867   0.298204
    11  C    0.099042  -0.063211   0.016607   1.655867   5.729388   0.312980
    12  C   -0.063230  -0.101116  -0.063443   0.298204   0.312980   5.727481
    13  N    0.015971  -0.063611   0.350568   1.258037   0.298044   1.654719
    14  H   -0.032199  -0.225074  -0.809208  -0.030488  -0.001182  -0.003742
    15  H   -0.054001  -0.673298  -0.185745   0.028405  -0.005661   0.009056
    16  H   -0.224568  -0.032024  -0.032848   0.021822   0.009546   0.003030
    17  H   -0.672916  -0.054630   0.007802  -0.058862  -0.015147   0.001889
    18  H    0.009532   0.003121   0.031066  -0.808927  -0.225411  -0.032289
    19  H   -0.015147   0.001867  -0.039278  -0.185746  -0.674402  -0.053750
    20  H   -0.001161  -0.003733  -0.002895  -0.033122  -0.031315  -0.224723
    21  H   -0.005630   0.009033  -0.017293   0.007918  -0.055632  -0.672661
    22  H   -0.003734  -0.001176  -0.030457   0.031026   0.003040   0.009567
    23  H    0.009048  -0.005679   0.028417  -0.039189   0.001927  -0.015170
    24  H    0.003032   0.009545   0.021752  -0.002859  -0.003710  -0.001159
    25  H    0.001924  -0.015172  -0.058836  -0.017321   0.009026  -0.005657
    26  H    0.011573  -0.003171  -0.014020   0.019448   0.006867   0.007021
    27  H    0.027731   0.017811   0.034827  -0.002314  -0.002843  -0.018108
    28  H    0.006924   0.007018   0.083244  -0.033541   0.011456  -0.003035
    29  H   -0.002834  -0.018171  -0.104350   0.003948   0.027788   0.017889
    30  H    0.007005   0.006894   0.019465  -0.022775   0.046440  -0.148915
    31  H   -0.018137  -0.002873  -0.002350  -0.011679  -0.011092  -0.024310
    32  H   -0.003042   0.011375  -0.033453   0.263581  -0.149197   0.046256
    33  H    0.017861   0.027820   0.003854   0.083019  -0.024411  -0.011359
    34  H   -0.148891   0.046389  -0.022844  -0.014148  -0.003203   0.011632
    35  H   -0.024244  -0.011202  -0.011538   0.034931   0.017804   0.027712
    36  H    0.046336  -0.149166   0.263879   0.083259   0.007021   0.006908
    37  H   -0.011391  -0.024210   0.084395  -0.104457  -0.018182  -0.002829
              13         14         15         16         17         18
     1  C   -0.030987   0.009527  -0.015121  -0.001152  -0.005658  -0.003726
     2  C    0.260741   0.003105   0.001858  -0.003725   0.009008  -0.001186
     3  N    1.080936   0.031080  -0.039256  -0.002857  -0.017394  -0.030581
     4  Rh  -9.742282   0.726832   0.389954   0.725336   0.391862   0.727169
     5  N    0.370511   0.021907  -0.058787  -0.030203   0.027983  -0.002891
     6  N    0.368530  -0.033223   0.008373  -0.809221  -0.186664   0.021947
     7  C    0.015971  -0.032199  -0.054001  -0.224568  -0.672916   0.009532
     8  C   -0.063611  -0.225074  -0.673298  -0.032024  -0.054630   0.003121
     9  N    0.350568  -0.809208  -0.185745  -0.032848   0.007802   0.031066
    10  N    1.258037  -0.030488   0.028405   0.021822  -0.058862  -0.808927
    11  C    0.298044  -0.001182  -0.005661   0.009546  -0.015147  -0.225411
    12  C    1.654719  -0.003742   0.009056   0.003030   0.001889  -0.032289
    13  N   11.318151  -0.002904  -0.017396   0.031091  -0.039089  -0.033339
    14  H   -0.002904   2.612733  -0.614326  -0.061367  -0.181563   0.000003
    15  H   -0.017396  -0.614326   2.821658  -0.181553   0.213461   0.000693
    16  H    0.031091  -0.061367  -0.181553   2.612531  -0.613961   0.003076
    17  H   -0.039089  -0.181563   0.213461  -0.613961   2.821672  -0.000658
    18  H   -0.033339   0.000003   0.000693   0.003076  -0.000658   2.612940
    19  H    0.008410   0.000082  -0.002204  -0.000654  -0.001657  -0.614408
    20  H   -0.807970   0.000164  -0.000715  -0.000003   0.000081  -0.061498
    21  H   -0.187716  -0.000714   0.004941   0.000703  -0.002168  -0.181399
    22  H    0.021840   0.000000   0.000082   0.000165  -0.000718  -0.000002
    23  H   -0.058694   0.000692  -0.002193  -0.000718   0.004948   0.000089
    24  H   -0.030290   0.003077  -0.000653   0.000000   0.000693   0.000165
    25  H    0.028267  -0.000659  -0.001656   0.000085  -0.002183  -0.000717
    26  H    0.083084  -0.003238  -0.002012  -0.001231   0.013085   0.000544
    27  H   -0.104280   0.007010  -0.006907   0.007364  -0.014758  -0.001354
    28  H   -0.013701  -0.000861   0.000314   0.000547  -0.000156  -0.001202
    29  H    0.034804   0.004822  -0.002258  -0.001346   0.000492   0.007339
    30  H    0.263899   0.000546  -0.000160  -0.000856   0.000313   0.012949
    31  H    0.085492  -0.001356   0.000504   0.004825  -0.002236   0.003522
    32  H   -0.023236  -0.001208   0.013120  -0.003264  -0.001990  -0.016063
    33  H   -0.011380   0.007360  -0.014845   0.007025  -0.006927   0.048707
    34  H   -0.033578   0.012937  -0.024258  -0.016019   0.057070  -0.003250
    35  H    0.003838   0.003533  -0.000198   0.048708  -0.092523   0.007010
    36  H    0.019495  -0.016093   0.057128   0.012962  -0.024157  -0.000864
    37  H   -0.002336   0.048730  -0.092519   0.003529  -0.000236   0.004821
              19         20         21         22         23         24
     1  C    0.009070   0.002952   0.001968  -0.031962  -0.054376  -0.224849
     2  C   -0.005708   0.009592  -0.015208  -0.225426  -0.673586  -0.031823
     3  N    0.028597   0.021756  -0.058850  -0.808617  -0.186382  -0.033148
     4  Rh   0.390021   0.724171   0.393361   0.726605   0.391219   0.725566
     5  N   -0.017361   0.031013  -0.039027  -0.033307   0.008096  -0.808742
     6  N   -0.058837  -0.030135   0.027884  -0.002904  -0.017358   0.031045
     7  C   -0.015147  -0.001161  -0.005630  -0.003734   0.009048   0.003032
     8  C    0.001867  -0.003733   0.009033  -0.001176  -0.005679   0.009545
     9  N   -0.039278  -0.002895  -0.017293  -0.030457   0.028417   0.021752
    10  N   -0.185746  -0.033122   0.007918   0.031026  -0.039189  -0.002859
    11  C   -0.674402  -0.031315  -0.055632   0.003040   0.001927  -0.003710
    12  C   -0.053750  -0.224723  -0.672661   0.009567  -0.015170  -0.001159
    13  N    0.008410  -0.807970  -0.187716   0.021840  -0.058694  -0.030290
    14  H    0.000082   0.000164  -0.000714   0.000000   0.000692   0.003077
    15  H   -0.002204  -0.000715   0.004941   0.000082  -0.002193  -0.000653
    16  H   -0.000654  -0.000003   0.000703   0.000165  -0.000718   0.000000
    17  H   -0.001657   0.000081  -0.002168  -0.000718   0.004948   0.000693
    18  H   -0.614408  -0.061498  -0.181399  -0.000002   0.000089   0.000165
    19  H    2.822313  -0.181284   0.213294   0.000689  -0.002204  -0.000718
    20  H   -0.181284   2.612096  -0.613815   0.003090  -0.000656  -0.000004
    21  H    0.213294  -0.613815   2.821480  -0.000661  -0.001657   0.000087
    22  H    0.000689   0.003090  -0.000661   2.612545  -0.614181  -0.061491
    23  H   -0.002204  -0.000656  -0.001657  -0.614181   2.821508  -0.181339
    24  H   -0.000718  -0.000004   0.000087  -0.061491  -0.181339   2.612431
    25  H    0.004947   0.000694  -0.002176  -0.181353   0.213244  -0.613915
    26  H   -0.000156  -0.000852   0.000313   0.012920  -0.024261  -0.016044
    27  H    0.000505   0.004817  -0.002229   0.003533  -0.000209   0.048681
    28  H    0.013160  -0.003283  -0.001983  -0.016067   0.057155   0.012979
    29  H   -0.014856   0.007030  -0.006923   0.048744  -0.092427   0.003526
    30  H   -0.024365  -0.016017   0.057057  -0.003266  -0.002001  -0.001238
    31  H   -0.000150   0.048676  -0.092476   0.007019  -0.006904   0.007347
    32  H    0.057218   0.012941  -0.024164  -0.000859   0.000315   0.000545
    33  H   -0.092467   0.003547  -0.000280   0.004807  -0.002249  -0.001345
    34  H   -0.002012  -0.001230   0.013050   0.000545  -0.000158  -0.000858
    35  H   -0.006906   0.007352  -0.014693  -0.001357   0.000504   0.004825
    36  H    0.000317   0.000545  -0.000154  -0.001204   0.013076  -0.003260
    37  H   -0.002262  -0.001349   0.000494   0.007344  -0.014806   0.007016
              25         26         27         28         29         30
     1  C   -0.673057  -0.148859  -0.024417   0.046352  -0.011332   0.011598
     2  C   -0.054843   0.046326  -0.011157  -0.149255  -0.024387  -0.003162
     3  N    0.008037  -0.022774  -0.011599   0.263507   0.083882  -0.013864
     4  Rh   0.391776  -0.063852   0.202252  -0.063397   0.202380  -0.063841
     5  N   -0.186798   0.264272   0.084550  -0.023283  -0.011375  -0.033513
     6  N   -0.039118  -0.033567   0.003696   0.019538  -0.002312   0.083064
     7  C    0.001924   0.011573   0.027731   0.006924  -0.002834   0.007005
     8  C   -0.015172  -0.003171   0.017811   0.007018  -0.018171   0.006894
     9  N   -0.058836  -0.014020   0.034827   0.083244  -0.104350   0.019465
    10  N   -0.017321   0.019448  -0.002314  -0.033541   0.003948  -0.022775
    11  C    0.009026   0.006867  -0.002843   0.011456   0.027788   0.046440
    12  C   -0.005657   0.007021  -0.018108  -0.003035   0.017889  -0.148915
    13  N    0.028267   0.083084  -0.104280  -0.013701   0.034804   0.263899
    14  H   -0.000659  -0.003238   0.007010  -0.000861   0.004822   0.000546
    15  H   -0.001656  -0.002012  -0.006907   0.000314  -0.002258  -0.000160
    16  H    0.000085  -0.001231   0.007364   0.000547  -0.001346  -0.000856
    17  H   -0.002183   0.013085  -0.014758  -0.000156   0.000492   0.000313
    18  H   -0.000717   0.000544  -0.001354  -0.001202   0.007339   0.012949
    19  H    0.004947  -0.000156   0.000505   0.013160  -0.014856  -0.024365
    20  H    0.000694  -0.000852   0.004817  -0.003283   0.007030  -0.016017
    21  H   -0.002176   0.000313  -0.002229  -0.001983  -0.006923   0.057057
    22  H   -0.181353   0.012920   0.003533  -0.016067   0.048744  -0.003266
    23  H    0.213244  -0.024261  -0.000209   0.057155  -0.092427  -0.002001
    24  H   -0.613915  -0.016044   0.048681   0.012979   0.003526  -0.001238
    25  H    2.821476   0.057101  -0.092527  -0.024241  -0.000215   0.013117
    26  H    0.057101   0.916751  -0.137898  -0.000801   0.003368   0.002367
    27  H   -0.092527  -0.137898   1.000206   0.003362  -0.000968   0.001305
    28  H   -0.024241  -0.000801   0.003362   0.917181  -0.137986   0.011201
    29  H   -0.000215   0.003368  -0.000968  -0.137986   1.000872  -0.005813
    30  H    0.013117   0.002367   0.001305   0.011201  -0.005813   0.916847
    31  H   -0.014757  -0.002125   0.006128  -0.005831   0.003790  -0.137884
    32  H   -0.000153  -0.000848   0.001152   0.002359  -0.002113  -0.000800
    33  H    0.000497   0.001151  -0.000368   0.001331   0.006095   0.003357
    34  H    0.000312   0.002361  -0.002143  -0.000853   0.001153   0.002366
    35  H   -0.002235   0.001313   0.006153   0.001158  -0.000370  -0.002135
    36  H   -0.002000   0.011177  -0.005819   0.002356   0.001324  -0.000851
    37  H   -0.006916  -0.005806   0.003787  -0.002123   0.006128   0.001156
              31         32         33         34         35         36
     1  C    0.027656   0.006886  -0.002806   0.007010  -0.018135  -0.003027
     2  C    0.017861   0.007039  -0.018160   0.006892  -0.002856   0.011459
     3  N    0.034910   0.083301  -0.104120   0.019411  -0.002344  -0.033642
     4  Rh   0.201460  -0.063382   0.203082  -0.063513   0.201386  -0.063066
     5  N    0.003767   0.019516  -0.002295   0.083042  -0.104480  -0.014002
     6  N   -0.104447  -0.013965   0.034746   0.264194   0.085265  -0.023244
     7  C   -0.018137  -0.003042   0.017861  -0.148891  -0.024244   0.046336
     8  C   -0.002873   0.011375   0.027820   0.046389  -0.011202  -0.149166
     9  N   -0.002350  -0.033453   0.003854  -0.022844  -0.011538   0.263879
    10  N   -0.011679   0.263581   0.083019  -0.014148   0.034931   0.083259
    11  C   -0.011092  -0.149197  -0.024411  -0.003203   0.017804   0.007021
    12  C   -0.024310   0.046256  -0.011359   0.011632   0.027712   0.006908
    13  N    0.085492  -0.023236  -0.011380  -0.033578   0.003838   0.019495
    14  H   -0.001356  -0.001208   0.007360   0.012937   0.003533  -0.016093
    15  H    0.000504   0.013120  -0.014845  -0.024258  -0.000198   0.057128
    16  H    0.004825  -0.003264   0.007025  -0.016019   0.048708   0.012962
    17  H   -0.002236  -0.001990  -0.006927   0.057070  -0.092523  -0.024157
    18  H    0.003522  -0.016063   0.048707  -0.003250   0.007010  -0.000864
    19  H   -0.000150   0.057218  -0.092467  -0.002012  -0.006906   0.000317
    20  H    0.048676   0.012941   0.003547  -0.001230   0.007352   0.000545
    21  H   -0.092476  -0.024164  -0.000280   0.013050  -0.014693  -0.000154
    22  H    0.007019  -0.000859   0.004807   0.000545  -0.001357  -0.001204
    23  H   -0.006904   0.000315  -0.002249  -0.000158   0.000504   0.013076
    24  H    0.007347   0.000545  -0.001345  -0.000858   0.004825  -0.003260
    25  H   -0.014757  -0.000153   0.000497   0.000312  -0.002235  -0.002000
    26  H   -0.002125  -0.000848   0.001151   0.002361   0.001313   0.011177
    27  H    0.006128   0.001152  -0.000368  -0.002143   0.006153  -0.005819
    28  H   -0.005831   0.002359   0.001331  -0.000853   0.001158   0.002356
    29  H    0.003790  -0.002113   0.006095   0.001153  -0.000370   0.001324
    30  H   -0.137884  -0.000800   0.003357   0.002366  -0.002135  -0.000851
    31  H    0.999920   0.003367  -0.000970   0.001306   0.006146   0.001154
    32  H    0.003367   0.917261  -0.137950   0.011216  -0.005832   0.002358
    33  H   -0.000970  -0.137950   1.001113  -0.005817   0.003789  -0.002128
    34  H    0.001306   0.011216  -0.005817   0.916728  -0.137872  -0.000809
    35  H    0.006146  -0.005832   0.003789  -0.137872   0.999992   0.003369
    36  H    0.001154   0.002358  -0.002128  -0.000809   0.003369   0.916994
    37  H   -0.000372   0.001326   0.006125   0.003370  -0.000963  -0.137980
              37
     1  C    0.017814
     2  C    0.027854
     3  N    0.003918
     4  Rh   0.202021
     5  N    0.034888
     6  N   -0.011349
     7  C   -0.011391
     8  C   -0.024210
     9  N    0.084395
    10  N   -0.104457
    11  C   -0.018182
    12  C   -0.002829
    13  N   -0.002336
    14  H    0.048730
    15  H   -0.092519
    16  H    0.003529
    17  H   -0.000236
    18  H    0.004821
    19  H   -0.002262
    20  H   -0.001349
    21  H    0.000494
    22  H    0.007344
    23  H   -0.014806
    24  H    0.007016
    25  H   -0.006916
    26  H   -0.005806
    27  H    0.003787
    28  H   -0.002123
    29  H    0.006128
    30  H    0.001156
    31  H   -0.000372
    32  H    0.001326
    33  H    0.006125
    34  H    0.003370
    35  H   -0.000963
    36  H   -0.137980
    37  H    1.000453
 Mulliken charges:
               1
     1  C    1.413756
     2  C    1.414801
     3  N    0.647919
     4  Rh  -3.169503
     5  N    0.647486
     6  N    0.646954
     7  C    1.413542
     8  C    1.414294
     9  N    0.647833
    10  N    0.648666
    11  C    1.414851
    12  C    1.413683
    13  N    0.646363
    14  H   -0.474734
    15  H   -0.553826
    16  H   -0.474774
    17  H   -0.554110
    18  H   -0.474929
    19  H   -0.553959
    20  H   -0.474756
    21  H   -0.554076
    22  H   -0.474817
    23  H   -0.553842
    24  H   -0.474865
    25  H   -0.553996
    26  H    0.020473
    27  H   -0.024971
    28  H    0.020458
    29  H   -0.025335
    30  H    0.020509
    31  H   -0.024901
    32  H    0.020384
    33  H   -0.025411
    34  H    0.020471
    35  H   -0.024907
    36  H    0.020349
    37  H   -0.025080
 Sum of Mulliken charges =   3.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.384895
     2  C    0.386142
     3  N    0.643042
     4  Rh  -3.169503
     5  N    0.642988
     6  N    0.642517
     7  C    0.384658
     8  C    0.385734
     9  N    0.643102
    10  N    0.643640
    11  C    0.385964
    12  C    0.384850
    13  N    0.641972
 Electronic spatial extent (au):  <R**2>=           2774.7615
 Charge=              3.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              0.0005    Y=              0.0003    Z=              0.0021  Tot=              0.0022
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -32.1068   YY=            -32.1112   ZZ=            -52.5133
   XY=             -0.0018   XZ=             -0.0012   YZ=             -0.0019
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=              6.8036   YY=              6.7993   ZZ=            -13.6029
   XY=             -0.0018   XZ=             -0.0012   YZ=             -0.0019
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=             20.6387  YYY=            -30.9128  ZZZ=              0.0134  XYY=            -20.6312
  XXY=             30.9184  XXZ=              0.0035  XZZ=              0.0109  YZZ=             -0.0005
  YYZ=             -0.0014  XYZ=              0.0012
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=           -970.6745 YYYY=           -970.4840 ZZZZ=           -416.3859 XXXY=             -0.0265
 XXXZ=            -31.1170 YYYX=             -0.0187 YYYZ=            -20.7659 ZZZX=             -0.0079
 ZZZY=             -0.0119 XXYY=           -323.5389 XXZZ=           -241.9613 YYZZ=           -241.9372
 XXYZ=             20.7385 YYXZ=             31.1087 ZZXY=              0.0012
 N-N= 1.198104516870D+03 E-N=-3.904484862554D+03  KE= 6.075957499750D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Thu Jul  8 21:39:45 2021, MaxMem= 10737418240 cpu:              12.8 elap:               1.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        = 1.91296448D-04 1.38903366D-04 8.50858411D-04
 Polarizability= 1.47873068D+02-2.36766975D-03 1.47869736D+02
                -9.99417547D-05-2.53382388D-03 1.22516732D+02
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 2      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 3     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 4     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 5     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 6     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        0.0018    0.0001        0.0026   -0.0013
 2     -0.0018   -0.0001        0.0013    0.0015       -0.0032   -0.0019
 3     -0.0026    0.0013       13.7545   13.7505       -0.0016   -0.0015
 4     -0.0013   -0.0015        0.0000    0.0000        0.0055    0.0013
 5    -13.7512  -13.7486       -0.0055   -0.0013       -0.0018    0.0001
 6      0.0016    0.0015        0.0018   -0.0001       -0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -0.0004   -0.0004       -0.0039   -0.0039
 2     -0.0045   -0.0045       -0.0000    0.0000       -0.0039   -0.0039
 3     -0.0045   -0.0045       -0.0004   -0.0004       -0.0000    0.0000
 4     -0.0004   -0.0004        0.0045    0.0045       -0.0057   -0.0057
 5      0.0039    0.0039       41.2514   41.2514       -0.0045   -0.0045
 6    -41.2457  -41.2457       -0.0039   -0.0039        0.0004    0.0004
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0131    0.0000       -0.0672   -0.0006        0.0041    0.0052
 2      0.0940    0.0006       -0.0288   -0.0060        0.1030    0.0077
 3      0.0575   -0.0052      -54.9678  -55.0019        0.0515    0.0060
 4     -0.0231    0.0060       -0.1527    0.0000        0.0098   -0.0052
 5     54.9271   54.9943        0.0265    0.0052        0.0390   -0.0006
 6     -0.0264   -0.0060       -0.0554    0.0006       -0.0334    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.3165    0.0000       -0.5535   -0.0145       -0.5573   -0.0263
 2     -0.2741    0.0145        0.3024   -0.0091       -0.0423   -0.0331
 3     -0.2429    0.0263        3.1764    3.6057       -0.4406    0.0091
 4      0.1902    0.0091        0.5423    0.0000        0.3004    0.0263
 5     -3.1948   -3.5726        0.2390   -0.0263        0.1500   -0.0145
 6      0.0729   -0.0091        0.0828    0.0145        0.1957    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1    -60.6927  -60.8007      -91.1488  -91.1192       -0.0441    0.0217
 2    -60.7294  -60.8155      -91.0908  -91.1268       -0.0267    0.0217
 3    -60.6984  -60.8155      -91.1325  -91.1192        0.0010    0.0269
 4      0.0491    0.0076       -0.0812    0.0148        0.2150   -0.0006
 5     -0.0278    0.0051      -34.2119  -34.3640       -0.1390   -0.0148
 6     34.4035   34.3646        0.0133   -0.0051       -0.1776   -0.0076
 Full mass-weighted force constant matrix:
 Low frequencies ---   -7.2086   -0.0004   -0.0003    0.0004    3.3662   11.2833
 Low frequencies ---   79.3119   82.1585   89.6210
 Diagonal vibrational polarizability:
       12.5681142      12.4987150      14.3707008
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   18796.99
                      1                      2                      3
                      A                      A                      A
 Frequencies --     79.3063                82.1497                89.6203
 Red. masses --      2.9290                 2.9306                 2.8178
 Frc consts  --      0.0109                 0.0117                 0.0133
 IR Inten    --      0.0043                 0.0049                 0.0046
 RamAct Fr= 1--      1.2583                 1.2156                 0.0473
  Dep-P Fr= 1--      0.7500                 0.7500                 0.7480
  Dep-U Fr= 1--      0.8571                 0.8571                 0.8559
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0000
 Beta2  Fr= 1--      0.1798                 0.1737                 0.0067
 AlphaG Fr= 1--     -0.0000                 0.0000                -0.0000
 Gamma2 Fr= 1--     -0.5778                -0.5680                -0.0210
 Delta2 Fr= 1--     -0.0652                -0.0689                -0.0025
 Raman1 Fr= 1--       5.033                  4.862                  0.189
 ROA1   Fr= 1--     -57.554                -56.736                 -2.101
 CID1   Fr= 1--     -11.435                -11.668                -11.102
 Raman2 Fr= 1--       2.157                  2.084                  0.081
 ROA2   Fr= 1--     -13.345                -13.082                 -0.485
 CID2   Fr= 1--      -6.187                 -6.278                 -5.983
 Raman3 Fr= 1--       4.314                  4.168                  0.162
 ROA3   Fr= 1--     -57.554                -56.736                 -2.101
 CID3   Fr= 1--     -13.341                -13.614                -12.972
 RC180  Fr= 1--       0.714                  0.714                  0.712
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.06  -0.01     0.18  -0.05  -0.04     0.06  -0.08  -0.11
     2   6     0.06  -0.05  -0.02     0.17  -0.00  -0.04     0.09   0.05  -0.11
     3   7     0.02  -0.06  -0.01    -0.01  -0.04   0.03    -0.04   0.05   0.04
     4  45    -0.02  -0.04   0.00    -0.04   0.02  -0.01    -0.01   0.00   0.05
     5   7    -0.04  -0.03   0.03     0.03   0.05   0.02    -0.05  -0.03   0.03
     6   7    -0.07   0.01   0.01    -0.02   0.03  -0.04     0.06  -0.03   0.02
     7   6    -0.06   0.15  -0.05    -0.03  -0.14   0.06     0.04   0.04  -0.09
     8   6    -0.09   0.10  -0.04     0.05  -0.15   0.06    -0.06  -0.01  -0.09
     9   7     0.01  -0.02   0.04    -0.04  -0.03  -0.01    -0.04  -0.07   0.03
    10   7     0.05  -0.02  -0.02    -0.06  -0.01  -0.04     0.06   0.01   0.03
    11   6     0.11   0.16   0.06    -0.02   0.07   0.03     0.01  -0.06  -0.10
    12   6     0.15   0.10   0.06     0.04   0.08   0.04    -0.07   0.02  -0.10
    13   7    -0.03   0.01  -0.04    -0.02   0.05   0.01    -0.00   0.08   0.03
    14   1    -0.07   0.19  -0.06     0.05  -0.26   0.13    -0.07   0.03  -0.16
    15   1    -0.20   0.04  -0.08     0.19  -0.11   0.05    -0.15  -0.04  -0.10
    16   1    -0.13   0.23  -0.10     0.05  -0.21   0.10     0.03   0.08  -0.16
    17   1     0.06   0.20  -0.03    -0.16  -0.17   0.09     0.13   0.07  -0.10
    18   1     0.24   0.21   0.11     0.01   0.08   0.04    -0.03  -0.10  -0.17
    19   1    -0.01   0.27   0.06    -0.08   0.10   0.07     0.09  -0.13  -0.10
    20   1     0.18   0.23   0.10     0.07   0.14   0.09    -0.10  -0.02  -0.17
    21   1     0.27  -0.01   0.08     0.11   0.04   0.01    -0.15   0.10  -0.11
    22   1     0.10  -0.07  -0.05     0.26  -0.08  -0.07     0.16   0.02  -0.19
    23   1     0.09  -0.00   0.01     0.19   0.14  -0.06     0.11   0.20  -0.12
    24   1     0.03  -0.04  -0.01     0.30  -0.01  -0.08     0.15  -0.07  -0.20
    25   1    -0.01  -0.09  -0.05     0.15  -0.19  -0.04     0.03  -0.22  -0.12
    26   1    -0.03  -0.00   0.08     0.08   0.16   0.09    -0.02   0.04   0.14
    27   1    -0.10  -0.02   0.03    -0.05   0.05   0.01    -0.18  -0.07   0.03
    28   1     0.02  -0.09  -0.02    -0.00  -0.15   0.12    -0.04  -0.03   0.15
    29   1     0.02  -0.05  -0.01    -0.10   0.00   0.02    -0.15   0.14   0.03
    30   1    -0.10   0.11  -0.14    -0.05   0.08  -0.01     0.02   0.04   0.12
    31   1    -0.08  -0.10  -0.03    -0.02   0.02   0.01     0.02   0.20   0.03
    32   1     0.15  -0.08  -0.11    -0.01  -0.02  -0.11     0.01   0.02   0.10
    33   1    -0.04  -0.08  -0.02    -0.13  -0.05  -0.03     0.16   0.03   0.02
    34   1    -0.16  -0.01   0.06     0.07   0.03  -0.15     0.02  -0.03   0.10
    35   1    -0.02  -0.04   0.00    -0.10   0.13  -0.03     0.14  -0.09   0.02
    36   1     0.08   0.03   0.13    -0.12  -0.08  -0.08    -0.01  -0.04   0.11
    37   1     0.02  -0.13   0.03    -0.03   0.06  -0.01    -0.06  -0.17   0.03
                      4                      5                      6
                      A                      A                      A
 Frequencies --    145.4431               146.0857               167.3231
 Red. masses --      2.9558                 2.9495                 2.6774
 Frc consts  --      0.0368                 0.0371                 0.0442
 IR Inten    --      0.9057                 0.8614                 0.0103
 RamAct Fr= 1--      0.3224                 0.3401                 1.5463
  Dep-P Fr= 1--      0.7498                 0.7491                 0.6958
  Dep-U Fr= 1--      0.8570                 0.8565                 0.8206
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0015
 Beta2  Fr= 1--      0.0461                 0.0486                 0.2115
 AlphaG Fr= 1--     -0.0000                -0.0000                -0.0103
 Gamma2 Fr= 1--      0.6984                 0.7199                -1.3750
 Delta2 Fr= 1--      0.1761                 0.1810                -0.3718
 Raman1 Fr= 1--       1.290                  1.361                  6.185
 ROA1   Fr= 1--      72.678                 74.904               -143.894
 CID1   Fr= 1--      56.352                 55.053                -23.264
 Raman2 Fr= 1--       0.553                  0.583                  2.538
 ROA2   Fr= 1--      15.352                 15.831                -30.024
 CID2   Fr= 1--      27.779                 27.168                -11.830
 Raman3 Fr= 1--       1.105                  1.165                  5.076
 ROA3   Fr= 1--      72.678                 74.904               -143.894
 CID3   Fr= 1--      65.755                 64.273                -28.349
 RC180  Fr= 1--       0.714                  0.713                  0.641
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03   0.05   0.07     0.11  -0.03   0.06     0.08  -0.04  -0.01
     2   6     0.12  -0.02   0.05    -0.04  -0.04   0.07    -0.10  -0.00   0.01
     3   7     0.11  -0.04  -0.05    -0.08  -0.04   0.08    -0.09   0.02   0.07
     4  45    -0.01   0.01   0.00    -0.01  -0.01   0.00     0.00   0.00  -0.00
     5   7    -0.06   0.06   0.08     0.12  -0.00  -0.05     0.08  -0.02  -0.07
     6   7     0.06  -0.04  -0.00     0.01  -0.12   0.09    -0.02   0.09  -0.07
     7   6     0.04  -0.07  -0.08    -0.01  -0.09   0.03    -0.00   0.10  -0.01
     8   6    -0.02  -0.04  -0.09    -0.06   0.10   0.01     0.06  -0.09   0.01
     9   7    -0.05  -0.02  -0.04    -0.05   0.12  -0.08     0.04  -0.09   0.07
    10   7     0.05   0.11   0.09     0.08   0.03   0.01     0.05   0.07   0.07
    11   6     0.03   0.09   0.04     0.07   0.06  -0.08     0.04   0.09   0.01
    12   6    -0.10  -0.07   0.01    -0.01   0.04  -0.09    -0.08  -0.06  -0.01
    13   7    -0.09  -0.09  -0.08    -0.05   0.03  -0.05    -0.06  -0.07  -0.07
    14   1    -0.04  -0.05  -0.14    -0.07   0.17  -0.07     0.07  -0.17   0.10
    15   1    -0.04  -0.03  -0.06    -0.11   0.16   0.14     0.13  -0.14  -0.12
    16   1     0.08  -0.10  -0.09     0.01  -0.14   0.12    -0.05   0.17  -0.10
    17   1     0.04  -0.09  -0.12    -0.01  -0.16  -0.10     0.02   0.18   0.12
    18   1     0.07   0.13   0.13     0.12   0.07  -0.07     0.10   0.13   0.10
    19   1     0.05   0.16  -0.09     0.08   0.09  -0.13     0.05   0.17  -0.11
    20   1    -0.13  -0.14  -0.06    -0.03   0.05  -0.14    -0.12  -0.13  -0.09
    21   1    -0.16  -0.11   0.15    -0.04   0.03  -0.05    -0.16  -0.08   0.12
    22   1     0.17  -0.05   0.00    -0.08  -0.04   0.16    -0.17   0.03   0.09
    23   1     0.17  -0.01   0.15    -0.10  -0.05  -0.02    -0.17  -0.03  -0.11
    24   1    -0.06   0.06   0.15     0.18  -0.02   0.01     0.16  -0.04  -0.09
    25   1    -0.07   0.08  -0.03     0.16  -0.05   0.16     0.14  -0.10   0.11
    26   1    -0.05   0.06   0.16     0.11   0.03  -0.16     0.08   0.00  -0.14
    27   1    -0.13   0.12   0.07     0.23  -0.01  -0.04     0.15  -0.04  -0.06
    28   1     0.09  -0.07  -0.17    -0.07  -0.04   0.16    -0.08   0.04   0.14
    29   1     0.22  -0.07  -0.04    -0.16  -0.06   0.07    -0.17   0.03   0.06
    30   1    -0.06  -0.10  -0.22    -0.06   0.04  -0.07    -0.04  -0.08  -0.15
    31   1    -0.18  -0.18  -0.06    -0.10   0.04  -0.05    -0.12  -0.13  -0.06
    32   1     0.05   0.08   0.21     0.10   0.00   0.07     0.07   0.05   0.14
    33   1     0.10   0.21   0.08     0.14   0.05   0.00     0.09   0.13   0.06
    34   1     0.09  -0.03   0.05     0.01  -0.10   0.21    -0.05   0.08  -0.15
    35   1     0.11  -0.08  -0.00     0.02  -0.24   0.07    -0.04   0.17  -0.06
    36   1    -0.07  -0.03  -0.05    -0.02   0.11  -0.21     0.00  -0.09   0.15
    37   1    -0.10  -0.02  -0.04    -0.10   0.23  -0.06     0.07  -0.17   0.06
                      7                      8                      9
                      A                      A                      A
 Frequencies --    217.6300               219.9432               225.8217
 Red. masses --      2.8494                 2.8634                 2.9493
 Frc consts  --      0.0795                 0.0816                 0.0886
 IR Inten    --      3.9561                 3.8975                18.2078
 RamAct Fr= 1--      3.2980                 3.3258                 0.0516
  Dep-P Fr= 1--      0.7498                 0.7500                 0.7366
  Dep-U Fr= 1--      0.8570                 0.8571                 0.8484
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0000
 Beta2  Fr= 1--      0.4711                 0.4751                 0.0073
 AlphaG Fr= 1--      0.0000                -0.0000                 0.0000
 Gamma2 Fr= 1--      0.3977                 0.4261                 0.0029
 Delta2 Fr= 1--      0.2327                 0.2322                 0.0014
 Raman1 Fr= 1--      13.192                 13.303                  0.207
 ROA1   Fr= 1--      45.621                 48.340                  0.321
 CID1   Fr= 1--       3.458                  3.634                  1.556
 Raman2 Fr= 1--       5.653                  5.701                  0.088
 ROA2   Fr= 1--       7.683                  8.370                  0.058
 CID2   Fr= 1--       1.359                  1.468                  0.661
 Raman3 Fr= 1--      11.305                 11.402                  0.175
 ROA3   Fr= 1--      45.621                 48.340                  0.321
 CID3   Fr= 1--       4.035                  4.239                  1.834
 RC180  Fr= 1--       0.714                  0.714                  0.697
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.03   0.01    -0.05  -0.09   0.00    -0.03  -0.01  -0.04
     2   6     0.01  -0.07   0.00     0.01  -0.08  -0.00    -0.03   0.01  -0.04
     3   7     0.14  -0.06  -0.11    -0.01  -0.07   0.03     0.09   0.04  -0.04
     4  45    -0.00  -0.00   0.01     0.00  -0.00  -0.01     0.00  -0.00   0.08
     5   7     0.12  -0.03  -0.11    -0.10  -0.05   0.03     0.06  -0.08  -0.04
     6   7    -0.06  -0.01   0.02    -0.08   0.12  -0.10     0.03   0.12  -0.06
     7   6    -0.07   0.01  -0.01    -0.08   0.01   0.01     0.01  -0.02  -0.04
     8   6    -0.08  -0.07  -0.00     0.02   0.02   0.01     0.01  -0.02  -0.04
     9   7    -0.05  -0.10   0.03    -0.03   0.10  -0.10    -0.09   0.08  -0.06
    10   7     0.01   0.07   0.07     0.13   0.07   0.08     0.00  -0.11  -0.04
    11   6    -0.02   0.01  -0.01     0.10  -0.03  -0.00     0.03   0.01  -0.04
    12   6    -0.05   0.09  -0.01     0.01  -0.02  -0.00     0.02   0.01  -0.04
    13   7     0.03   0.13   0.07     0.08   0.02   0.08    -0.10  -0.03  -0.04
    14   1    -0.07  -0.06   0.02     0.03  -0.05   0.09    -0.01  -0.12  -0.03
    15   1    -0.09  -0.10  -0.05     0.14   0.05   0.01     0.12   0.02  -0.03
    16   1    -0.08   0.03  -0.06    -0.03  -0.05   0.07     0.09  -0.09  -0.03
    17   1    -0.04   0.04   0.04    -0.20  -0.03   0.03    -0.10  -0.06  -0.04
    18   1    -0.07  -0.02  -0.08     0.04  -0.06  -0.02     0.12   0.04  -0.04
    19   1     0.04  -0.06   0.01     0.18  -0.09  -0.04    -0.04   0.07  -0.04
    20   1    -0.06   0.05  -0.03    -0.03  -0.09  -0.08     0.03   0.11  -0.04
    21   1    -0.10   0.16  -0.04    -0.09   0.04   0.02     0.09  -0.05  -0.03
    22   1    -0.06  -0.03   0.06     0.05  -0.09  -0.05    -0.09   0.07  -0.05
    23   1    -0.01  -0.21   0.02     0.04  -0.03   0.04    -0.04  -0.08  -0.04
    24   1    -0.07   0.02   0.08    -0.03  -0.07   0.02    -0.11  -0.04  -0.04
    25   1     0.04   0.17   0.01    -0.08  -0.12  -0.04    -0.02   0.07  -0.04
    26   1     0.09  -0.07  -0.29    -0.08  -0.04   0.10     0.03  -0.11  -0.16
    27   1     0.30  -0.07  -0.09    -0.16  -0.03   0.02     0.17  -0.16  -0.02
    28   1     0.12  -0.01  -0.29    -0.01  -0.09   0.08     0.08   0.08  -0.17
    29   1     0.32  -0.09  -0.09    -0.06  -0.07   0.02     0.23   0.07  -0.02
    30   1     0.03   0.10   0.20     0.10  -0.02   0.21    -0.12   0.01  -0.19
    31   1     0.11   0.23   0.06     0.17   0.13   0.07    -0.24  -0.10  -0.02
    32   1    -0.02   0.07   0.18     0.10   0.07   0.23     0.05  -0.12  -0.18
    33   1     0.09   0.14   0.06     0.22   0.18   0.07    -0.05  -0.25  -0.02
    34   1    -0.08  -0.01   0.05    -0.04   0.10  -0.26     0.08   0.11  -0.22
    35   1    -0.05  -0.03   0.02    -0.14   0.27  -0.08     0.03   0.29  -0.03
    36   1    -0.05  -0.09   0.08    -0.06   0.07  -0.25    -0.13   0.04  -0.22
    37   1    -0.04  -0.14   0.02    -0.08   0.25  -0.08    -0.20   0.22  -0.03
                     10                     11                     12
                      A                      A                      A
 Frequencies --    251.8832               289.5113               290.1385
 Red. masses --      4.9302                 2.0243                 2.0434
 Frc consts  --      0.1843                 0.1000                 0.1013
 IR Inten    --      0.0006                 1.4305                 1.5222
 RamAct Fr= 1--     17.7147                 0.8890                 0.9149
  Dep-P Fr= 1--      0.0640                 0.7476                 0.7497
  Dep-U Fr= 1--      0.1204                 0.8556                 0.8570
 Alpha2 Fr= 1--      0.3384                 0.0000                 0.0000
 Beta2  Fr= 1--      0.3554                 0.1268                 0.1307
 AlphaG Fr= 1--      0.2206                -0.0000                -0.0000
 Gamma2 Fr= 1--      5.0093                 0.3710                 0.3531
 Delta2 Fr= 1--      0.4129                -0.1760                -0.1807
 Raman1 Fr= 1--      70.859                  3.556                  3.660
 ROA1   Fr= 1--     494.103                 29.984                 28.111
 CID1   Fr= 1--       6.973                  8.432                  7.681
 Raman2 Fr= 1--       4.265                  1.521                  1.568
 ROA2   Fr= 1--     116.919                 10.313                  9.920
 CID2   Fr= 1--      27.414                  6.779                  6.326
 Raman3 Fr= 1--       8.530                  3.042                  3.136
 ROA3   Fr= 1--     494.103                 29.984                 28.111
 CID3   Fr= 1--      57.925                  9.855                  8.963
 RC180  Fr= 1--      -0.759                  0.711                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.05   0.18   0.00     0.06  -0.07  -0.00    -0.05   0.09   0.01
     2   6     0.03   0.18  -0.00    -0.07  -0.07   0.01     0.08   0.04  -0.00
     3   7    -0.04   0.14  -0.02     0.04  -0.03  -0.03    -0.05  -0.01  -0.01
     4  45    -0.00  -0.00  -0.00    -0.02   0.03  -0.00    -0.03  -0.02   0.00
     5   7     0.08   0.12   0.02    -0.04   0.03  -0.01     0.05   0.01  -0.03
     6   7    -0.15   0.01   0.02     0.03  -0.01   0.03     0.01  -0.06   0.00
     7   6    -0.18  -0.05   0.00     0.04   0.03  -0.01     0.05   0.12  -0.01
     8   6    -0.17  -0.07  -0.00     0.02  -0.03  -0.00     0.12  -0.05   0.01
     9   7    -0.11  -0.10  -0.02    -0.03   0.01   0.02    -0.02   0.06  -0.02
    10   7     0.14  -0.04  -0.02     0.04   0.06   0.01     0.03  -0.01   0.03
    11   6     0.14  -0.11  -0.00     0.00  -0.13  -0.01     0.02  -0.03  -0.01
    12   6     0.13  -0.13   0.00     0.13   0.01   0.01     0.02   0.02  -0.00
    13   7     0.06  -0.13   0.02    -0.04  -0.05  -0.02    -0.03   0.00   0.03
    14   1    -0.15  -0.01   0.02     0.01  -0.10   0.01     0.11  -0.26   0.13
    15   1    -0.20  -0.08  -0.01     0.08  -0.03  -0.04     0.33  -0.06  -0.11
    16   1    -0.12  -0.08  -0.02     0.01   0.08  -0.06    -0.09   0.27  -0.11
    17   1    -0.21  -0.06   0.01     0.09   0.08   0.03     0.21   0.25   0.12
    18   1     0.08  -0.13   0.02    -0.19  -0.22  -0.12    -0.00  -0.06  -0.05
    19   1     0.17  -0.14  -0.01     0.10  -0.31   0.12     0.05  -0.08   0.02
    20   1     0.13  -0.07  -0.02     0.20   0.20   0.13     0.03   0.07  -0.00
    21   1     0.16  -0.15   0.01     0.32  -0.07  -0.11     0.05   0.01  -0.03
    22   1     0.06   0.13   0.02    -0.19   0.01   0.10     0.21  -0.06  -0.07
    23   1     0.03   0.22  -0.01    -0.15  -0.19  -0.07     0.16   0.17   0.09
    24   1    -0.00   0.15  -0.02     0.21  -0.03  -0.07    -0.19   0.07   0.11
    25   1     0.06   0.21   0.01     0.08  -0.20   0.08    -0.07   0.24  -0.08
    26   1     0.08   0.11   0.00    -0.01   0.10   0.05     0.01  -0.04  -0.15
    27   1     0.10   0.11   0.02    -0.10   0.04  -0.02     0.16  -0.01  -0.02
    28   1    -0.03   0.13   0.01     0.02   0.02  -0.14    -0.05  -0.09   0.06
    29   1    -0.06   0.14  -0.02     0.14  -0.06  -0.02    -0.12   0.00  -0.02
    30   1     0.05  -0.12  -0.00    -0.08   0.03  -0.16    -0.06   0.03   0.04
    31   1     0.04  -0.15   0.02    -0.12  -0.15  -0.01    -0.03   0.01   0.03
    32   1     0.12  -0.03   0.01    -0.05   0.10   0.13     0.02  -0.02   0.09
    33   1     0.15  -0.02  -0.02     0.12   0.15  -0.00     0.07   0.03   0.02
    34   1    -0.13   0.01  -0.00     0.02   0.00   0.10    -0.09  -0.07   0.12
    35   1    -0.15   0.04   0.02     0.06  -0.07   0.02     0.05  -0.17  -0.01
    36   1    -0.09  -0.09   0.01    -0.08  -0.01   0.02    -0.09   0.01  -0.16
    37   1    -0.09  -0.12  -0.02    -0.04   0.02   0.02    -0.05   0.19  -0.01
                     13                     14                     15
                      A                      A                      A
 Frequencies --    311.9051               332.0750               332.8181
 Red. masses --      1.7074                 3.3015                 3.3205
 Frc consts  --      0.0979                 0.2145                 0.2167
 IR Inten    --      0.0010                 6.6984                 6.7156
 RamAct Fr= 1--      2.5232                 2.4860                 2.4667
  Dep-P Fr= 1--      0.3813                 0.7496                 0.7499
  Dep-U Fr= 1--      0.5521                 0.8569                 0.8571
 Alpha2 Fr= 1--      0.0200                 0.0000                 0.0000
 Beta2  Fr= 1--      0.2322                 0.3550                 0.3524
 AlphaG Fr= 1--     -0.0526                -0.0000                -0.0000
 Gamma2 Fr= 1--     -2.9973                -3.0949                -3.1253
 Delta2 Fr= 1--     -0.2855                -0.1725                -0.1752
 Raman1 Fr= 1--      10.093                  9.944                  9.867
 ROA1   Fr= 1--    -296.881               -302.634               -305.631
 CID1   Fr= 1--     -29.415                -30.433                -30.975
 Raman2 Fr= 1--       2.786                  4.260                  4.228
 ROA2   Fr= 1--     -69.652                -72.898                -73.605
 CID2   Fr= 1--     -24.999                -17.110                -17.407
 Raman3 Fr= 1--       5.572                  8.521                  8.457
 ROA3   Fr= 1--    -296.881               -302.634               -305.631
 CID3   Fr= 1--     -53.277                -35.517                -36.141
 RC180  Fr= 1--       0.104                  0.714                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.06   0.03   0.00    -0.05  -0.05   0.01    -0.08  -0.06  -0.00
     2   6     0.07   0.00  -0.00     0.02   0.01   0.01     0.06  -0.11  -0.00
     3   7    -0.05  -0.03   0.05     0.00   0.02   0.09    -0.03  -0.11   0.05
     4  45     0.00  -0.00  -0.00     0.09   0.01   0.00    -0.01   0.09  -0.00
     5   7     0.03  -0.05  -0.05    -0.01  -0.08   0.04    -0.01  -0.08  -0.10
     6   7     0.02   0.05  -0.05    -0.10  -0.04   0.06     0.03   0.01   0.09
     7   6     0.01  -0.06   0.00    -0.12   0.05  -0.00     0.02   0.01   0.01
     8   6    -0.03   0.06  -0.00    -0.05  -0.10  -0.00    -0.05  -0.04   0.01
     9   7     0.05  -0.03   0.05    -0.08  -0.02  -0.09    -0.07  -0.02   0.05
    10   7    -0.00   0.06   0.05    -0.08   0.07   0.00     0.03  -0.03  -0.11
    11   6    -0.03  -0.06  -0.00    -0.11   0.01  -0.01     0.06   0.01  -0.00
    12   6     0.05   0.04   0.00     0.00   0.05  -0.01     0.03  -0.11  -0.01
    13   7    -0.06  -0.00  -0.05    -0.02   0.02  -0.10     0.09  -0.07   0.01
    14   1    -0.03   0.18  -0.09    -0.03  -0.19   0.13    -0.06  -0.07  -0.01
    15   1    -0.17   0.06   0.07     0.09  -0.11  -0.09    -0.04  -0.05  -0.01
    16   1     0.09  -0.16   0.09    -0.17   0.13  -0.11     0.03   0.03  -0.06
    17   1    -0.10  -0.15  -0.08    -0.02   0.13   0.09     0.05   0.03   0.03
    18   1    -0.15  -0.12  -0.10    -0.17  -0.02  -0.05     0.11   0.07   0.12
    19   1     0.04  -0.18   0.08    -0.08  -0.06   0.05     0.01   0.11  -0.07
    20   1     0.10   0.16   0.10     0.05   0.09   0.11    -0.00  -0.18  -0.06
    21   1     0.18  -0.01  -0.08     0.10   0.02  -0.07    -0.06  -0.09   0.06
    22   1     0.18  -0.07  -0.10     0.05   0.02  -0.08     0.15  -0.15  -0.11
    23   1     0.14   0.13   0.08     0.05   0.07   0.04     0.13  -0.01   0.09
    24   1    -0.20   0.01   0.10    -0.09  -0.07   0.00    -0.18  -0.05   0.13
    25   1    -0.08   0.17  -0.08    -0.06  -0.03  -0.02    -0.11   0.08  -0.09
    26   1    -0.00  -0.11  -0.17    -0.02  -0.13   0.09    -0.05  -0.12  -0.29
    27   1     0.17  -0.06  -0.03    -0.06  -0.07   0.04     0.18  -0.15  -0.07
    28   1    -0.04  -0.10   0.17     0.03   0.03   0.24    -0.02  -0.18   0.18
    29   1    -0.17   0.00   0.03    -0.16   0.03   0.07    -0.17  -0.10   0.04
    30   1    -0.09   0.06  -0.17    -0.02   0.05  -0.29     0.12  -0.12   0.06
    31   1    -0.14  -0.11  -0.03    -0.17  -0.11  -0.08     0.13  -0.03   0.00
    32   1    -0.07   0.08   0.17    -0.13   0.11   0.03     0.06  -0.02  -0.30
    33   1     0.09   0.15   0.04    -0.06   0.11  -0.00    -0.09  -0.20  -0.08
    34   1     0.09   0.05  -0.17    -0.18  -0.04   0.20     0.04   0.03   0.22
    35   1    -0.03   0.17  -0.03    -0.07  -0.19   0.04     0.06  -0.13   0.07
    36   1     0.10   0.02   0.17    -0.13  -0.07  -0.28    -0.11  -0.03   0.13
    37   1     0.08  -0.15   0.03    -0.18   0.16  -0.07    -0.04  -0.09   0.04
                     16                     17                     18
                      A                      A                      A
 Frequencies --    402.3115               403.0990               403.5553
 Red. masses --      4.0000                 4.4349                 4.1794
 Frc consts  --      0.3814                 0.4246                 0.4010
 IR Inten    --      0.4422                 0.3988                 0.3922
 RamAct Fr= 1--      3.3773                 2.1461                 2.8303
  Dep-P Fr= 1--      0.7500                 0.7493                 0.7499
  Dep-U Fr= 1--      0.8571                 0.8567                 0.8571
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0000
 Beta2  Fr= 1--      0.4825                 0.3064                 0.4043
 AlphaG Fr= 1--     -0.0000                -0.0000                -0.0000
 Gamma2 Fr= 1--      0.7569                 0.4967                 0.6491
 Delta2 Fr= 1--      0.2307                 0.1457                 0.1911
 Raman1 Fr= 1--      13.509                  8.584                 11.321
 ROA1   Fr= 1--      80.048                 52.344                 68.426
 CID1   Fr= 1--       5.925                  6.098                  6.044
 Raman2 Fr= 1--       5.790                  3.677                  4.852
 ROA2   Fr= 1--      16.321                 10.755                 14.050
 CID2   Fr= 1--       2.819                  2.925                  2.896
 Raman3 Fr= 1--      11.579                  7.354                  9.703
 ROA3   Fr= 1--      80.048                 52.344                 68.426
 CID3   Fr= 1--       6.913                  7.118                  7.052
 RC180  Fr= 1--       0.714                  0.713                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.07  -0.04     0.01   0.10  -0.08    -0.00  -0.05   0.04
     2   6    -0.01  -0.03  -0.04    -0.04  -0.12  -0.08     0.02   0.05   0.04
     3   7    -0.04  -0.05  -0.02    -0.14  -0.17  -0.11     0.05   0.06   0.03
     4  45     0.00  -0.07   0.04     0.05   0.03   0.07    -0.06   0.02   0.06
     5   7    -0.04   0.12  -0.07    -0.05   0.18  -0.09     0.02  -0.08   0.03
     6   7     0.08   0.08   0.05    -0.10  -0.11  -0.08    -0.10  -0.11  -0.07
     7   6     0.06   0.03   0.05    -0.07  -0.04  -0.05    -0.08  -0.03  -0.07
     8   6    -0.06  -0.01   0.05     0.05   0.02  -0.05     0.11   0.02  -0.07
     9   7    -0.09   0.01   0.04     0.10  -0.02  -0.04     0.19  -0.03  -0.10
    10   7    -0.07   0.19  -0.10     0.01  -0.02   0.01    -0.04   0.11  -0.05
    11   6    -0.08   0.09  -0.07     0.01  -0.02   0.02    -0.04   0.04  -0.05
    12   6     0.07  -0.06  -0.07    -0.03   0.02   0.02     0.08  -0.05  -0.05
    13   7     0.16  -0.04  -0.07    -0.04   0.01   0.02     0.16  -0.04  -0.08
    14   1    -0.09  -0.00  -0.04     0.09   0.05   0.04     0.17   0.07   0.09
    15   1    -0.09   0.00   0.09     0.05   0.01  -0.07     0.14   0.00  -0.12
    16   1     0.09   0.05  -0.05    -0.14  -0.03   0.06    -0.14  -0.04   0.06
    17   1     0.08   0.06   0.09    -0.08  -0.05  -0.08    -0.09  -0.06  -0.11
    18   1    -0.15   0.13   0.09    -0.00  -0.04  -0.02    -0.09   0.06   0.04
    19   1    -0.08   0.13  -0.13     0.02  -0.04   0.05    -0.04   0.06  -0.09
    20   1     0.12  -0.11   0.07    -0.05   0.00  -0.02     0.11  -0.11   0.07
    21   1     0.11  -0.05  -0.12    -0.06   0.02   0.05     0.10  -0.05  -0.09
    22   1    -0.00  -0.06   0.02    -0.03  -0.21   0.10     0.04   0.06  -0.04
    23   1    -0.02  -0.04  -0.06    -0.07  -0.13  -0.14     0.04   0.07   0.08
    24   1     0.03   0.11   0.06     0.05   0.17   0.08     0.01  -0.08  -0.04
    25   1    -0.01   0.08  -0.06    -0.01   0.13  -0.13     0.01  -0.08   0.08
    26   1    -0.02   0.16  -0.07    -0.03   0.21   0.01     0.00  -0.04  -0.19
    27   1    -0.04   0.14  -0.07    -0.15   0.17  -0.09     0.20  -0.19   0.06
    28   1    -0.04  -0.06   0.01    -0.14  -0.23  -0.04     0.01   0.02  -0.19
    29   1    -0.06  -0.00  -0.02    -0.23  -0.17  -0.12     0.26   0.09   0.06
    30   1     0.15  -0.06   0.06     0.01   0.00  -0.18     0.19  -0.08  -0.06
    31   1     0.23   0.06  -0.08    -0.22  -0.07   0.05     0.20  -0.02  -0.09
    32   1    -0.11   0.20   0.01    -0.01   0.03  -0.20    -0.06   0.11  -0.00
    33   1    -0.02   0.30  -0.12    -0.06  -0.20   0.03     0.02   0.11  -0.05
    34   1     0.06   0.05  -0.16    -0.16  -0.13  -0.10    -0.13  -0.10   0.02
    35   1     0.09   0.29   0.08    -0.10  -0.10  -0.08    -0.05  -0.18  -0.07
    36   1    -0.05  -0.00  -0.18     0.13  -0.01  -0.04     0.24  -0.00  -0.03
    37   1    -0.21   0.18   0.07     0.05  -0.04  -0.04     0.24  -0.10  -0.11
                     19                     20                     21
                      A                      A                      A
 Frequencies --    462.0651               462.7682               505.7485
 Red. masses --      4.0278                 4.0376                 4.5179
 Frc consts  --      0.5067                 0.5094                 0.6809
 IR Inten    --      7.5279                 7.5500                 0.0010
 RamAct Fr= 1--      5.7849                 5.7896                48.1390
  Dep-P Fr= 1--      0.7500                 0.7500                 0.0019
  Dep-U Fr= 1--      0.8571                 0.8571                 0.0038
 Alpha2 Fr= 1--      0.0000                 0.0000                 1.0651
 Beta2  Fr= 1--      0.8264                 0.8271                 0.0301
 AlphaG Fr= 1--     -0.0000                 0.0000                -0.9967
 Gamma2 Fr= 1--      2.0598                 2.0715                -1.2212
 Delta2 Fr= 1--     -0.0371                -0.0446                 0.1228
 Raman1 Fr= 1--      23.140                 23.158                192.556
 ROA1   Fr= 1--     196.549                197.441               -113.305
 CID1   Fr= 1--       8.494                  8.526                 -0.588
 Raman2 Fr= 1--       9.917                  9.925                  0.361
 ROA2   Fr= 1--      49.731                 50.074                -30.290
 CID2   Fr= 1--       5.015                  5.045                -83.811
 Raman3 Fr= 1--      19.834                 19.850                  0.723
 ROA3   Fr= 1--     196.549                197.441               -113.305
 CID3   Fr= 1--       9.910                  9.947               -156.752
 RC180  Fr= 1--       0.714                  0.714                 -0.992
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.02   0.02    -0.03  -0.03   0.00     0.02   0.01   0.01
     2   6    -0.01   0.04   0.01     0.03  -0.01   0.01    -0.02   0.02  -0.01
     3   7    -0.05  -0.01  -0.09     0.16   0.08   0.18    -0.13  -0.06  -0.15
     4  45     0.03   0.01   0.00     0.01  -0.03   0.00     0.00  -0.00  -0.00
     5   7     0.08  -0.11   0.12    -0.09   0.08  -0.16     0.10  -0.11   0.15
     6   7    -0.05  -0.17  -0.20    -0.03  -0.05  -0.03     0.05   0.14   0.15
     7   6     0.03  -0.03  -0.01    -0.02  -0.01  -0.02    -0.02   0.01   0.01
     8   6     0.01   0.04   0.01     0.03   0.01  -0.02    -0.01  -0.02  -0.01
     9   7    -0.14   0.11   0.20     0.04  -0.01  -0.01     0.12  -0.08  -0.15
    10   7    -0.00   0.13  -0.11     0.02   0.13  -0.17     0.01   0.14  -0.15
    11   6     0.00   0.02  -0.02     0.04   0.00   0.00     0.02   0.01  -0.01
    12   6     0.02  -0.03  -0.01    -0.02  -0.03   0.01    -0.00  -0.03   0.01
    13   7    -0.03  -0.02   0.07    -0.18  -0.04   0.19    -0.14  -0.03   0.15
    14   1    -0.06  -0.10  -0.10     0.04   0.01   0.01     0.05   0.09   0.07
    15   1     0.04   0.06   0.03     0.03  -0.00  -0.04    -0.04  -0.04  -0.02
    16   1    -0.11   0.04   0.10    -0.04  -0.01   0.02     0.10  -0.05  -0.07
    17   1     0.07  -0.02  -0.03    -0.01  -0.02  -0.04    -0.07  -0.00   0.01
    18   1    -0.08   0.03   0.06    -0.09  -0.01   0.08    -0.11   0.00   0.07
    19   1     0.03   0.02  -0.04     0.07  -0.02  -0.01     0.06  -0.02  -0.02
    20   1     0.02   0.03  -0.03    -0.03   0.12  -0.10    -0.01   0.11  -0.07
    21   1     0.03  -0.04  -0.02     0.00  -0.06   0.04     0.04  -0.06   0.01
    22   1     0.04  -0.02   0.04    -0.04   0.11  -0.09     0.06  -0.09   0.07
    23   1    -0.00   0.06   0.02     0.03  -0.05   0.04    -0.01   0.06  -0.02
    24   1    -0.05  -0.08  -0.07     0.07   0.04   0.08    -0.09  -0.06  -0.07
    25   1     0.04   0.00   0.05    -0.04  -0.05  -0.01     0.03   0.06   0.01
    26   1     0.08  -0.16   0.19    -0.09   0.11  -0.25     0.10  -0.12   0.19
    27   1     0.01  -0.11   0.12     0.02   0.13  -0.16     0.01  -0.13   0.15
    28   1    -0.06  -0.01  -0.15     0.18   0.13   0.29    -0.14  -0.07  -0.19
    29   1    -0.00  -0.08  -0.09     0.05   0.14   0.17    -0.07  -0.12  -0.15
    30   1    -0.03  -0.03   0.12    -0.23  -0.00   0.30    -0.15  -0.03   0.20
    31   1    -0.04   0.05   0.08    -0.14   0.09   0.18    -0.12   0.06   0.15
    32   1    -0.03   0.16  -0.17     0.00   0.16  -0.27     0.00   0.15  -0.18
    33   1    -0.05   0.09  -0.10    -0.10   0.10  -0.17    -0.07   0.12  -0.15
    34   1    -0.09  -0.19  -0.32    -0.06  -0.06  -0.04     0.06   0.15   0.20
    35   1    -0.15  -0.07  -0.19    -0.02  -0.03  -0.02     0.11   0.08   0.15
    36   1    -0.20   0.10   0.32     0.07  -0.00  -0.01     0.13  -0.08  -0.18
    37   1    -0.17  -0.04   0.20     0.02  -0.02  -0.01     0.14  -0.00  -0.15
                     22                     23                     24
                      A                      A                      A
 Frequencies --    523.1981               558.3983               559.2010
 Red. masses --      1.5617                 1.8402                 1.8425
 Frc consts  --      0.2519                 0.3381                 0.3395
 IR Inten    --      3.2686                 3.4648                 3.3960
 RamAct Fr= 1--      0.0135                 0.3115                 0.3330
  Dep-P Fr= 1--      0.0100                 0.7471                 0.7381
  Dep-U Fr= 1--      0.0198                 0.8552                 0.8493
 Alpha2 Fr= 1--      0.0003                 0.0000                 0.0001
 Beta2  Fr= 1--      0.0000                 0.0444                 0.0471
 AlphaG Fr= 1--     -0.0002                 0.0000                -0.0000
 Gamma2 Fr= 1--     -0.0002                -0.6392                -0.6314
 Delta2 Fr= 1--      0.0000                -0.1434                -0.1455
 Raman1 Fr= 1--       0.054                  1.246                  1.332
 ROA1   Fr= 1--      -0.020                -65.953                -65.273
 CID1   Fr= 1--      -0.377                -52.932                -49.004
 Raman2 Fr= 1--       0.001                  0.533                  0.566
 ROA2   Fr= 1--      -0.006                -14.194                -13.991
 CID2   Fr= 1--     -10.557                -26.639                -24.735
 Raman3 Fr= 1--       0.001                  1.066                  1.131
 ROA3   Fr= 1--      -0.020                -65.953                -65.273
 CID3   Fr= 1--     -19.066                -61.892                -57.700
 RC180  Fr= 1--      -0.960                  0.710                  0.699
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.05  -0.05    -0.00  -0.01   0.02     0.02   0.06  -0.07
     2   6    -0.01  -0.05  -0.05    -0.00   0.03   0.02    -0.00  -0.06  -0.07
     3   7     0.04  -0.02   0.03    -0.03   0.00  -0.02     0.07  -0.00   0.07
     4  45     0.00   0.00  -0.00     0.00  -0.03  -0.00    -0.03  -0.00   0.00
     5   7     0.04   0.00   0.04    -0.02   0.01  -0.02     0.07  -0.03   0.08
     6   7    -0.02   0.03   0.03    -0.01   0.07   0.08     0.01  -0.02  -0.02
     7   6    -0.05  -0.02  -0.05    -0.06  -0.01  -0.07     0.02   0.00   0.01
     8   6     0.05   0.02  -0.05     0.06   0.03  -0.07    -0.01  -0.00   0.01
     9   7    -0.01   0.04   0.04    -0.03   0.06   0.08     0.01  -0.01  -0.01
    10   7    -0.03  -0.03   0.04     0.02   0.04  -0.05     0.03   0.05  -0.06
    11   6    -0.04   0.03  -0.05     0.03  -0.02   0.05     0.05  -0.03   0.05
    12   6     0.04  -0.03  -0.05    -0.03   0.04   0.05    -0.03   0.03   0.05
    13   7    -0.02  -0.04   0.03     0.04   0.03  -0.05     0.04   0.03  -0.06
    14   1     0.05  -0.13   0.07     0.05  -0.23   0.11    -0.01   0.05  -0.03
    15   1     0.19   0.00  -0.15     0.30   0.01  -0.23    -0.05   0.01   0.05
    16   1     0.04  -0.13   0.07     0.10  -0.21   0.11    -0.01   0.04  -0.02
    17   1    -0.15  -0.11  -0.15    -0.24  -0.18  -0.24     0.06   0.03   0.04
    18   1     0.09   0.11   0.07    -0.12  -0.11  -0.08    -0.13  -0.12  -0.08
    19   1    -0.10   0.16  -0.15     0.10  -0.17   0.16     0.13  -0.19   0.17
    20   1     0.10   0.10   0.07    -0.10  -0.13  -0.07    -0.10  -0.15  -0.09
    21   1     0.18  -0.08  -0.15    -0.19   0.09   0.16    -0.20   0.09   0.18
    22   1    -0.14   0.02   0.07     0.07  -0.02  -0.03    -0.22   0.07   0.11
    23   1    -0.09  -0.17  -0.14     0.04   0.09   0.07    -0.14  -0.25  -0.23
    24   1    -0.14   0.03   0.07     0.08  -0.00  -0.04    -0.23   0.02   0.11
    25   1    -0.02   0.19  -0.14     0.02  -0.09   0.08    -0.03   0.29  -0.23
    26   1     0.05  -0.04   0.22    -0.02   0.01  -0.09     0.09  -0.02   0.23
    27   1    -0.14   0.03   0.02     0.06   0.01  -0.02    -0.12  -0.05   0.07
    28   1     0.07   0.01   0.22    -0.03   0.01  -0.06     0.09  -0.01   0.23
    29   1    -0.14   0.03   0.02     0.01  -0.03  -0.02    -0.10   0.09   0.06
    30   1    -0.06  -0.03   0.22     0.04   0.05  -0.15     0.05   0.04  -0.19
    31   1     0.10   0.11   0.01    -0.01  -0.08  -0.05    -0.03  -0.11  -0.05
    32   1    -0.02  -0.07   0.23     0.03   0.05  -0.17     0.05   0.05  -0.17
    33   1     0.10   0.11   0.02    -0.10  -0.04  -0.04    -0.09  -0.02  -0.05
    34   1     0.01   0.07   0.22    -0.02   0.09   0.24     0.01  -0.02  -0.04
    35   1     0.05  -0.14   0.02     0.11  -0.09   0.07    -0.02  -0.00  -0.02
    36   1    -0.05   0.05   0.22    -0.03   0.09   0.23     0.01  -0.01  -0.06
    37   1     0.04  -0.14   0.02    -0.03  -0.13   0.07    -0.00   0.05  -0.01
                     25                     26                     27
                      A                      A                      A
 Frequencies --    676.1695               676.4235               713.9514
 Red. masses --      1.2961                 1.2962                 1.2647
 Frc consts  --      0.3491                 0.3494                 0.3798
 IR Inten    --      0.1365                 0.1366                 0.0008
 RamAct Fr= 1--      0.0963                 0.0954                 2.6641
  Dep-P Fr= 1--      0.7474                 0.7492                 0.0991
  Dep-U Fr= 1--      0.8554                 0.8566                 0.1804
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0467
 Beta2  Fr= 1--      0.0137                 0.0136                 0.0801
 AlphaG Fr= 1--      0.0000                 0.0000                 0.3209
 Gamma2 Fr= 1--     -0.2097                -0.1995                -2.7709
 Delta2 Fr= 1--      0.0792                 0.0780                -0.1308
 Raman1 Fr= 1--       0.385                  0.382                 10.656
 ROA1   Fr= 1--     -17.598                -16.656               -270.191
 CID1   Fr= 1--     -45.707                -43.656                -25.355
 Raman2 Fr= 1--       0.165                  0.163                  0.961
 ROA2   Fr= 1--      -5.666                 -5.413                -65.455
 CID2   Fr= 1--     -34.410                -33.123                -68.101
 Raman3 Fr= 1--       0.329                  0.327                  1.922
 ROA3   Fr= 1--     -17.598                -16.656               -270.191
 CID3   Fr= 1--     -53.432                -50.963               -140.557
 RC180  Fr= 1--       0.711                  0.713                 -0.639
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.02    -0.00  -0.01  -0.00     0.00  -0.01  -0.01
     2   6    -0.00  -0.01  -0.01    -0.00  -0.01   0.02    -0.00  -0.00   0.01
     3   7    -0.03  -0.01   0.05    -0.03   0.01   0.05    -0.04   0.00   0.05
     4  45     0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
     5   7     0.00   0.01   0.00     0.04  -0.02  -0.07     0.03  -0.01  -0.04
     6   7     0.00   0.04  -0.06     0.01  -0.02   0.03    -0.00   0.03  -0.04
     7   6     0.01   0.01   0.01    -0.01  -0.00   0.02     0.00   0.01  -0.01
     8   6     0.00   0.00   0.02    -0.01  -0.00   0.00     0.00  -0.00   0.01
     9   7    -0.00  -0.01   0.02    -0.03   0.04  -0.07     0.02  -0.03   0.04
    10   7    -0.02  -0.04  -0.07    -0.00   0.02   0.02     0.02   0.03   0.04
    11   6     0.01  -0.01  -0.01    -0.00   0.01  -0.02     0.00   0.01   0.01
    12   6     0.01  -0.01   0.01     0.01  -0.00  -0.02    -0.01   0.00  -0.01
    13   7     0.03   0.03   0.06     0.03   0.01   0.04    -0.03  -0.02  -0.05
    14   1    -0.01   0.03  -0.04    -0.01  -0.07   0.05     0.00   0.06  -0.04
    15   1    -0.06   0.00   0.05     0.08   0.02  -0.00    -0.08  -0.02   0.03
    16   1     0.05  -0.03   0.04    -0.02   0.04  -0.05     0.04  -0.05   0.04
    17   1    -0.06  -0.02   0.01     0.06   0.04   0.05    -0.08  -0.03  -0.03
    18   1     0.07   0.03   0.06    -0.01   0.01   0.01    -0.06  -0.03  -0.04
    19   1    -0.06   0.07  -0.03     0.00   0.02  -0.04     0.06  -0.07   0.03
    20   1    -0.02  -0.06  -0.06     0.01  -0.03  -0.01     0.02   0.06   0.04
    21   1    -0.08   0.05   0.03    -0.01   0.02  -0.03     0.07  -0.05  -0.02
    22   1     0.02  -0.03  -0.03     0.05  -0.03  -0.05     0.05  -0.04  -0.04
    23   1     0.00   0.04  -0.02     0.03   0.08   0.04     0.02   0.09   0.03
    24   1    -0.02   0.01   0.02    -0.07  -0.02   0.06    -0.06  -0.01   0.04
    25   1    -0.01   0.03  -0.05     0.01   0.09  -0.02     0.01   0.09  -0.03
    26   1     0.00   0.02  -0.02     0.07  -0.12   0.34     0.06  -0.06   0.25
    27   1     0.00  -0.04   0.01    -0.29   0.25  -0.13    -0.23   0.15  -0.09
    28   1    -0.08  -0.07  -0.25    -0.08  -0.05  -0.24    -0.08  -0.03  -0.25
    29   1     0.26   0.11   0.10     0.25   0.07   0.09     0.27   0.05   0.09
    30   1     0.11   0.01  -0.29     0.08  -0.01  -0.19    -0.08  -0.02   0.25
    31   1    -0.29  -0.11   0.11    -0.22  -0.05   0.08     0.24   0.12  -0.09
    32   1     0.01  -0.13   0.33    -0.01   0.04  -0.09     0.01   0.08  -0.25
    33   1     0.08   0.36  -0.13     0.01  -0.11   0.04    -0.09  -0.25   0.09
    34   1     0.06   0.11   0.31    -0.02  -0.05  -0.16     0.02   0.08   0.24
    35   1    -0.08  -0.34  -0.12     0.01   0.17   0.06    -0.02  -0.26  -0.09
    36   1     0.02  -0.02  -0.09    -0.12   0.05   0.34     0.07  -0.05  -0.24
    37   1    -0.05   0.08   0.03     0.29  -0.24  -0.13    -0.18   0.20   0.09
                     28                     29                     30
                      A                      A                      A
 Frequencies --    750.4186               750.5760               762.8613
 Red. masses --      1.3993                 1.4003                 1.4761
 Frc consts  --      0.4643                 0.4648                 0.5061
 IR Inten    --      5.4075                 5.3568                17.8416
 RamAct Fr= 1--      0.5535                 0.5523                 0.0004
  Dep-P Fr= 1--      0.7499                 0.7497                 0.6209
  Dep-U Fr= 1--      0.8571                 0.8569                 0.7661
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0000
 Beta2  Fr= 1--      0.0791                 0.0789                 0.0000
 AlphaG Fr= 1--      0.0000                 0.0000                -0.0000
 Gamma2 Fr= 1--      2.6118                 2.6042                 0.0018
 Delta2 Fr= 1--      0.0041                 0.0039                -0.0001
 Raman1 Fr= 1--       2.214                  2.209                  0.002
 ROA1   Fr= 1--     250.868                250.127                  0.174
 CID1   Fr= 1--     113.310                113.227                111.317
 Raman2 Fr= 1--       0.949                  0.947                  0.001
 ROA2   Fr= 1--      62.652                 62.469                  0.044
 CID2   Fr= 1--      66.033                 65.999                 74.244
 Raman3 Fr= 1--       1.898                  1.893                  0.001
 ROA3   Fr= 1--     250.868                250.127                  0.174
 CID3   Fr= 1--     132.204                132.131                145.300
 RC180  Fr= 1--       0.714                  0.714                  0.532
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.02  -0.02     0.01  -0.00  -0.02    -0.03  -0.01   0.02
     2   6     0.01  -0.01  -0.03    -0.00  -0.02  -0.01    -0.02   0.02   0.02
     3   7    -0.02  -0.01   0.04    -0.05  -0.01   0.05     0.03  -0.01  -0.06
     4  45     0.01  -0.01   0.00     0.01   0.01  -0.00    -0.00   0.00   0.02
     5   7    -0.04   0.04   0.07     0.00   0.01   0.01     0.03  -0.00  -0.06
     6   7     0.01   0.03  -0.04    -0.00  -0.05   0.06    -0.02   0.03  -0.06
     7   6     0.01  -0.00   0.03    -0.02  -0.01  -0.01     0.02  -0.02   0.02
     8   6    -0.02  -0.01   0.02    -0.00   0.01  -0.02    -0.01  -0.03   0.02
     9   7    -0.04   0.04  -0.07     0.01   0.01   0.01    -0.00   0.03  -0.05
    10   7     0.01   0.03   0.02    -0.01  -0.05  -0.06    -0.02  -0.02  -0.06
    11   6    -0.01   0.01   0.01     0.02  -0.01   0.03     0.03   0.01   0.02
    12   6    -0.01   0.01  -0.00    -0.01   0.02   0.03     0.00   0.03   0.02
    13   7    -0.02  -0.02  -0.03    -0.05  -0.01  -0.06    -0.02  -0.03  -0.06
    14   1    -0.04  -0.03  -0.01     0.01  -0.04   0.05    -0.02   0.05  -0.08
    15   1     0.01   0.04   0.10     0.06  -0.01  -0.08    -0.07   0.02   0.14
    16   1     0.01   0.03  -0.05    -0.06   0.02  -0.02    -0.02   0.05  -0.08
    17   1     0.02   0.05   0.12     0.05   0.00  -0.04     0.04   0.06   0.14
    18   1    -0.05  -0.02  -0.04     0.03  -0.03  -0.03    -0.03  -0.04  -0.07
    19   1     0.04  -0.05   0.02    -0.02  -0.03   0.12     0.01  -0.07   0.15
    20   1     0.01   0.05   0.04    -0.03   0.02  -0.03    -0.04  -0.04  -0.08
    21   1     0.05  -0.03  -0.02    -0.03  -0.02   0.12    -0.07   0.01   0.15
    22   1    -0.03  -0.02   0.05     0.03  -0.05  -0.02     0.06  -0.01  -0.08
    23   1    -0.04  -0.03  -0.11    -0.00   0.05  -0.05     0.06   0.05   0.15
    24   1     0.03   0.04   0.01    -0.04   0.00   0.05     0.05  -0.01  -0.08
    25   1    -0.03  -0.02  -0.09    -0.02   0.06  -0.08     0.03  -0.06   0.15
    26   1    -0.08   0.11  -0.32     0.01   0.03  -0.02     0.04  -0.11   0.22
    27   1     0.27  -0.26   0.14     0.02  -0.05   0.02    -0.18   0.18  -0.10
    28   1    -0.06  -0.06  -0.16    -0.10  -0.05  -0.27     0.08   0.09   0.21
    29   1     0.20   0.10   0.08     0.30   0.11   0.11    -0.22  -0.10  -0.10
    30   1    -0.05  -0.03   0.16    -0.12   0.00   0.28    -0.11   0.02   0.21
    31   1     0.15   0.06  -0.06     0.34   0.08  -0.13     0.23   0.06  -0.10
    32   1     0.02   0.05  -0.15     0.02  -0.13   0.29     0.03  -0.11   0.22
    33   1    -0.04  -0.15   0.05     0.04   0.36  -0.13     0.03   0.25  -0.10
    34   1     0.06   0.07   0.18    -0.03  -0.10  -0.28     0.07   0.08   0.21
    35   1    -0.08  -0.22  -0.09     0.07   0.31   0.12    -0.06  -0.22  -0.10
    36   1    -0.12   0.06   0.33     0.03   0.01  -0.01    -0.11   0.02   0.20
    37   1     0.31  -0.24  -0.14    -0.04   0.00   0.02     0.18  -0.14  -0.10
                     31                     32                     33
                      A                      A                      A
 Frequencies --    865.5689               865.6170               867.4004
 Red. masses --      3.2256                 3.2250                 3.1378
 Frc consts  --      1.4239                 1.4237                 1.3910
 IR Inten    --     10.9253                10.9127                 0.0045
 RamAct Fr= 1--      0.8553                 0.8817                 9.4855
  Dep-P Fr= 1--      0.7477                 0.7492                 0.0759
  Dep-U Fr= 1--      0.8556                 0.8566                 0.1412
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.1761
 Beta2  Fr= 1--      0.1220                 0.1259                 0.2232
 AlphaG Fr= 1--     -0.0000                -0.0000                -0.0665
 Gamma2 Fr= 1--      0.7668                 0.7418                -1.9632
 Delta2 Fr= 1--      0.8487                 0.8457                -3.0960
 Raman1 Fr= 1--       3.421                  3.527                 37.942
 ROA1   Fr= 1--     100.768                 98.276               -287.536
 CID1   Fr= 1--      29.453                 27.867                 -7.578
 Raman2 Fr= 1--       1.464                  1.511                  2.678
 ROA2   Fr= 1--      11.613                 11.038                -22.348
 CID2   Fr= 1--       7.935                  7.307                 -8.345
 Raman3 Fr= 1--       2.927                  3.021                  5.356
 ROA3   Fr= 1--     100.768                 98.276               -287.536
 CID3   Fr= 1--      34.424                 32.530                -53.684
 RC180  Fr= 1--       0.711                  0.713                 -0.718
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04  -0.06   0.05     0.04   0.13  -0.12    -0.03  -0.11   0.09
     2   6    -0.02  -0.06  -0.06     0.00   0.15   0.11    -0.01  -0.11  -0.09
     3   7    -0.01   0.04  -0.01     0.04  -0.12   0.06    -0.03   0.09  -0.03
     4  45     0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
     5   7     0.05   0.06   0.04    -0.07  -0.09  -0.05     0.06   0.07   0.03
     6   7    -0.06   0.01   0.02    -0.12   0.02   0.06    -0.10   0.02   0.04
     7   6     0.08   0.02   0.08     0.13   0.01   0.10     0.11   0.02   0.09
     8   6     0.08   0.05  -0.06     0.12   0.05  -0.11     0.10   0.05  -0.09
     9   7    -0.06  -0.06  -0.04    -0.07  -0.07  -0.04    -0.07  -0.07  -0.03
    10   7    -0.13   0.03   0.06     0.03  -0.00  -0.01     0.09  -0.02  -0.03
    11   6     0.13  -0.09   0.13    -0.02  -0.00   0.00    -0.09   0.06  -0.09
    12   6     0.10  -0.13  -0.13    -0.01  -0.01   0.02    -0.07   0.08   0.08
    13   7    -0.05   0.13  -0.06     0.00   0.01  -0.01     0.04  -0.09   0.04
    14   1     0.03   0.03  -0.18     0.04   0.07  -0.36     0.04   0.07  -0.30
    15   1    -0.00   0.03  -0.05    -0.05   0.04  -0.03    -0.05   0.03  -0.03
    16   1     0.05  -0.02   0.25     0.06  -0.01   0.29     0.07  -0.03   0.28
    17   1    -0.01  -0.05   0.01     0.02  -0.04   0.07    -0.01  -0.05   0.04
    18   1     0.09  -0.01   0.41     0.01   0.01   0.02    -0.08   0.00  -0.29
    19   1     0.03   0.07   0.05    -0.02   0.02  -0.03    -0.00  -0.06  -0.03
    20   1     0.03  -0.08  -0.38     0.01   0.02   0.07    -0.01   0.07   0.27
    21   1    -0.05  -0.04  -0.07     0.03  -0.01  -0.02     0.05   0.02   0.04
    22   1     0.03  -0.04  -0.21    -0.02   0.07   0.33     0.04  -0.07  -0.28
    23   1     0.04   0.02   0.00    -0.06   0.01   0.06     0.05   0.02  -0.04
    24   1    -0.01  -0.03   0.12     0.06   0.06  -0.37    -0.06  -0.05   0.29
    25   1    -0.03  -0.01   0.05     0.05  -0.04  -0.04    -0.04   0.04   0.03
    26   1     0.04   0.04  -0.01    -0.06  -0.09   0.02     0.06   0.08   0.01
    27   1     0.10   0.08   0.04    -0.16  -0.19  -0.04     0.11   0.15   0.03
    28   1    -0.00   0.05   0.00     0.03  -0.11  -0.02    -0.02   0.09  -0.01
    29   1    -0.02   0.11  -0.01     0.10  -0.24   0.06    -0.05   0.18  -0.03
    30   1    -0.05   0.11   0.02     0.01  -0.00   0.00     0.04  -0.09   0.01
    31   1    -0.08   0.27  -0.06     0.02  -0.00  -0.01     0.07  -0.17   0.03
    32   1    -0.11   0.04  -0.02     0.01   0.00   0.01     0.09  -0.03  -0.01
    33   1    -0.28   0.05   0.05     0.03   0.02  -0.02     0.17  -0.05  -0.03
    34   1    -0.06   0.00  -0.01    -0.10   0.01  -0.02    -0.10   0.01   0.01
    35   1    -0.15   0.02   0.02    -0.23   0.07   0.06    -0.19   0.03   0.03
    36   1    -0.05  -0.05   0.02    -0.08  -0.06   0.02    -0.07  -0.07  -0.01
    37   1    -0.09  -0.14  -0.04    -0.15  -0.16  -0.04    -0.14  -0.13  -0.03
                     34                     35                     36
                      A                      A                      A
 Frequencies --    870.7715               872.6946               872.8134
 Red. masses --      2.6872                 2.4828                 2.4837
 Frc consts  --      1.2005                 1.1141                 1.1148
 IR Inten    --      5.7806                 0.1139                 0.1372
 RamAct Fr= 1--      0.0185                 2.7365                 2.7564
  Dep-P Fr= 1--      0.5538                 0.7498                 0.7489
  Dep-U Fr= 1--      0.7128                 0.8570                 0.8564
 Alpha2 Fr= 1--      0.0001                 0.0000                 0.0001
 Beta2  Fr= 1--      0.0022                 0.3909                 0.3934
 AlphaG Fr= 1--      0.0000                -0.0000                -0.0000
 Gamma2 Fr= 1--     -0.0069                -0.9946                -0.9945
 Delta2 Fr= 1--     -0.0038                -0.5270                -0.5253
 Raman1 Fr= 1--       0.074                 10.946                 11.026
 ROA1   Fr= 1--      -0.785               -112.342               -112.279
 CID1   Fr= 1--     -10.594                -10.263                -10.184
 Raman2 Fr= 1--       0.026                  4.690                  4.721
 ROA2   Fr= 1--      -0.135                -19.654                -19.664
 CID2   Fr= 1--      -5.132                 -4.190                 -4.165
 Raman3 Fr= 1--       0.053                  9.381                  9.442
 ROA3   Fr= 1--      -0.785               -112.342               -112.279
 CID3   Fr= 1--     -14.862                -11.976                -11.891
 RC180  Fr= 1--       0.426                  0.714                  0.713
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.07  -0.01   0.05    -0.03  -0.01  -0.00     0.12  -0.02   0.07
     2   6     0.07  -0.02   0.05    -0.03  -0.01  -0.03     0.11  -0.03   0.06
     3   7    -0.03   0.08  -0.06     0.01  -0.02   0.01    -0.07   0.13  -0.06
     4  45    -0.00   0.00   0.01    -0.00  -0.01   0.00     0.01  -0.00   0.00
     5   7    -0.06  -0.06  -0.06     0.04   0.03   0.01    -0.11  -0.08  -0.06
     6   7     0.10  -0.03  -0.07    -0.08   0.03   0.04    -0.09   0.04   0.03
     7   6    -0.03   0.08   0.06     0.02  -0.08  -0.05     0.04  -0.07  -0.04
     8   6    -0.02   0.09   0.06     0.01  -0.08  -0.03     0.03  -0.07  -0.05
     9   7    -0.07  -0.08  -0.07     0.05   0.09   0.04     0.04   0.07   0.04
    10   7     0.10  -0.02  -0.06     0.14  -0.00  -0.06    -0.04  -0.00   0.01
    11   6    -0.06  -0.06   0.05    -0.08  -0.08   0.06     0.03   0.00   0.00
    12   6    -0.05  -0.06   0.06    -0.07  -0.09   0.06     0.03   0.01  -0.02
    13   7    -0.03   0.09  -0.06    -0.02   0.14  -0.05     0.00  -0.01   0.01
    14   1    -0.00  -0.11   0.27    -0.01   0.08  -0.22     0.00   0.10  -0.28
    15   1     0.16   0.02  -0.15    -0.12   0.00   0.18    -0.15  -0.00   0.18
    16   1     0.07  -0.08   0.29    -0.07   0.08  -0.30    -0.04   0.06  -0.22
    17   1    -0.14  -0.08  -0.15     0.12   0.09   0.18     0.09   0.07   0.18
    18   1     0.08   0.04   0.25     0.11   0.07   0.37     0.00  -0.01  -0.02
    19   1    -0.09   0.11  -0.14    -0.10   0.17  -0.25     0.00  -0.01   0.06
    20   1     0.03   0.10   0.27     0.05   0.12   0.36    -0.01  -0.05  -0.13
    21   1     0.13  -0.08  -0.14     0.17  -0.07  -0.25    -0.06   0.03   0.05
    22   1    -0.07   0.05   0.23     0.04  -0.03  -0.15    -0.11   0.06   0.36
    23   1    -0.05  -0.13  -0.12     0.03   0.07   0.06    -0.10  -0.17  -0.26
    24   1    -0.09  -0.02   0.23     0.01  -0.01  -0.04    -0.14  -0.02   0.39
    25   1     0.00   0.13  -0.12     0.01  -0.02   0.07    -0.02   0.20  -0.26
    26   1    -0.03  -0.00   0.03     0.04   0.01   0.04    -0.07   0.04  -0.08
    27   1    -0.12   0.04  -0.08     0.02   0.03   0.01    -0.07   0.00  -0.07
    28   1    -0.02   0.01   0.03     0.01   0.03   0.01    -0.09   0.00  -0.09
    29   1    -0.13   0.01  -0.08     0.02   0.02   0.02    -0.06   0.03  -0.07
    30   1     0.02   0.02   0.02     0.07   0.05  -0.09    -0.02   0.02   0.01
    31   1     0.10   0.08  -0.09     0.03   0.06  -0.06    -0.02   0.01   0.01
    32   1     0.03   0.02   0.02     0.04   0.07  -0.09    -0.04  -0.01   0.04
    33   1     0.08   0.11  -0.09     0.05   0.04  -0.07    -0.03   0.02   0.01
    34   1     0.01  -0.03   0.01     0.02   0.06   0.05    -0.02   0.06   0.08
    35   1     0.02  -0.13  -0.09    -0.01   0.04   0.05    -0.03   0.02   0.04
    36   1     0.01  -0.04   0.02    -0.02   0.07   0.07    -0.04   0.04   0.06
    37   1     0.06  -0.13  -0.09     0.02   0.05   0.04    -0.01   0.04   0.04
                     37                     38                     39
                      A                      A                      A
 Frequencies --    982.2636               983.2499               983.4669
 Red. masses --      2.1967                 2.2058                 2.2003
 Frc consts  --      1.2488                 1.2565                 1.2539
 IR Inten    --      3.4569                 3.4396                 3.7059
 RamAct Fr= 1--      0.0429                 5.2052                 5.2468
  Dep-P Fr= 1--      0.7496                 0.7500                 0.7500
  Dep-U Fr= 1--      0.8569                 0.8571                 0.8571
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0000
 Beta2  Fr= 1--      0.0061                 0.7436                 0.7495
 AlphaG Fr= 1--     -0.0000                -0.0000                -0.0000
 Gamma2 Fr= 1--      0.0009                -0.1782                -0.1418
 Delta2 Fr= 1--      0.0096                 1.1077                 1.1111
 Raman1 Fr= 1--       0.172                 20.821                 20.987
 ROA1   Fr= 1--       0.398                 18.340                 21.945
 CID1   Fr= 1--       2.321                  0.881                  1.046
 Raman2 Fr= 1--       0.074                  8.923                  8.994
 ROA2   Fr= 1--      -0.054                -13.138                -12.292
 CID2   Fr= 1--      -0.739                 -1.472                 -1.367
 Raman3 Fr= 1--       0.147                 17.846                 17.989
 ROA3   Fr= 1--       0.398                 18.340                 21.945
 CID3   Fr= 1--       2.708                  1.028                  1.220
 RC180  Fr= 1--       0.714                  0.714                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.10   0.00     0.02   0.10   0.01    -0.04  -0.14   0.00
     2   6     0.02   0.11   0.00    -0.01  -0.10  -0.01     0.03   0.15  -0.00
     3   7     0.00  -0.05  -0.00    -0.00   0.05  -0.00     0.00  -0.07   0.00
     4  45    -0.00   0.00   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
     5   7     0.02   0.04  -0.00    -0.02  -0.04  -0.00     0.03   0.06   0.00
     6   7    -0.06  -0.00   0.00    -0.08  -0.01   0.00    -0.00  -0.00   0.00
     7   6     0.13   0.04   0.00     0.15   0.05  -0.00     0.01   0.01  -0.01
     8   6    -0.12  -0.05   0.00    -0.15  -0.06   0.00    -0.00  -0.01   0.01
     9   7     0.05   0.03   0.00     0.06   0.04   0.00     0.00   0.00   0.00
    10   7    -0.05   0.02  -0.00     0.04  -0.02  -0.00     0.06  -0.03  -0.00
    11   6     0.09  -0.08   0.00    -0.07   0.06   0.01    -0.11   0.09  -0.00
    12   6    -0.09   0.08   0.00     0.06  -0.06  -0.01     0.11  -0.09   0.00
    13   7     0.03  -0.04  -0.00    -0.03   0.04  -0.00    -0.04   0.06  -0.00
    14   1    -0.15  -0.24   0.09    -0.17  -0.29   0.10    -0.00   0.01  -0.01
    15   1     0.10  -0.07  -0.16     0.11  -0.09  -0.20    -0.03  -0.02   0.00
    16   1     0.27  -0.11   0.09     0.32  -0.12   0.11     0.04  -0.03   0.02
    17   1    -0.04  -0.12  -0.16    -0.04  -0.14  -0.21    -0.04  -0.02  -0.03
    18   1     0.26  -0.00   0.08    -0.21  -0.00  -0.07    -0.29   0.01  -0.08
    19   1     0.01   0.11  -0.14     0.01  -0.10   0.13    -0.04  -0.12   0.17
    20   1    -0.04   0.26   0.09     0.03  -0.17  -0.05     0.04  -0.32  -0.10
    21   1     0.11   0.02  -0.15    -0.06  -0.04   0.10    -0.15  -0.02   0.19
    22   1    -0.12   0.20   0.08     0.08  -0.17  -0.05    -0.16   0.29   0.10
    23   1    -0.09  -0.05  -0.13     0.08   0.00   0.11    -0.13  -0.07  -0.20
    24   1    -0.18  -0.14   0.07     0.19   0.14  -0.08    -0.23  -0.19   0.09
    25   1    -0.07   0.07  -0.13     0.06  -0.10   0.14    -0.10   0.08  -0.18
    26   1     0.04   0.09  -0.01    -0.04  -0.13   0.02     0.04   0.11  -0.04
    27   1     0.05   0.14  -0.01    -0.04  -0.09   0.00     0.10   0.19  -0.01
    28   1    -0.00  -0.11  -0.01     0.00   0.06   0.02    -0.01  -0.17  -0.04
    29   1    -0.01  -0.14  -0.01    -0.01   0.16   0.01     0.01  -0.18  -0.01
    30   1     0.08  -0.10  -0.01    -0.03   0.04   0.02    -0.11   0.13   0.04
    31   1     0.10  -0.12  -0.01    -0.08   0.12   0.01    -0.09   0.14   0.01
    32   1    -0.10   0.06  -0.01     0.10  -0.07   0.02     0.09  -0.06   0.04
    33   1    -0.14   0.09  -0.01     0.08  -0.04   0.00     0.19  -0.09   0.01
    34   1    -0.13  -0.02  -0.02    -0.16  -0.03  -0.04    -0.06  -0.01  -0.00
    35   1    -0.17  -0.03  -0.01    -0.21  -0.01  -0.01     0.02  -0.00   0.00
    36   1     0.11   0.06  -0.01     0.13   0.07  -0.04    -0.04  -0.02  -0.00
    37   1     0.16   0.08  -0.01     0.18   0.12  -0.01     0.04   0.03  -0.00
                     40                     41                     42
                      A                      A                      A
 Frequencies --    996.8252               997.2795              1009.6920
 Red. masses --      1.2460                 1.2452                 1.2697
 Frc consts  --      0.7295                 0.7297                 0.7626
 IR Inten    --      9.0990                 9.4826                 0.0002
 RamAct Fr= 1--      0.1349                 0.1288                 1.4171
  Dep-P Fr= 1--      0.7495                 0.7499                 0.0886
  Dep-U Fr= 1--      0.8568                 0.8571                 0.1628
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0255
 Beta2  Fr= 1--      0.0193                 0.0184                 0.0384
 AlphaG Fr= 1--     -0.0000                -0.0000                -0.2571
 Gamma2 Fr= 1--      0.6767                 0.7121                -1.0787
 Delta2 Fr= 1--      0.2132                 0.2033                 0.3318
 Raman1 Fr= 1--       0.540                  0.515                  5.668
 ROA1   Fr= 1--      71.782                 74.866                -92.938
 CID1   Fr= 1--     132.985                145.368                -16.396
 Raman2 Fr= 1--       0.231                  0.221                  0.461
 ROA2   Fr= 1--      14.534                 15.463                -28.543
 CID2   Fr= 1--      62.853                 70.066                -61.878
 Raman3 Fr= 1--       0.462                  0.441                  0.923
 ROA3   Fr= 1--      71.782                 74.866                -92.938
 CID3   Fr= 1--     155.210                169.614               -100.738
 RC180  Fr= 1--       0.714                  0.714                 -0.674
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.04  -0.03  -0.02     0.05  -0.02  -0.03     0.05  -0.02  -0.03
     2   6    -0.04   0.01   0.02    -0.06  -0.01   0.03    -0.05  -0.00   0.03
     3   7     0.01  -0.00  -0.01     0.01  -0.00   0.00     0.02  -0.00  -0.00
     4  45    -0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     5   7    -0.01   0.00  -0.00    -0.01  -0.00   0.00    -0.02   0.00   0.00
     6   7    -0.01   0.02  -0.00     0.00  -0.00  -0.00     0.01  -0.01   0.00
     7   6     0.01  -0.07   0.04     0.01   0.02  -0.00    -0.00   0.05  -0.03
     8   6    -0.05   0.06  -0.03    -0.00  -0.01   0.01     0.03  -0.04   0.03
     9   7     0.00  -0.02   0.00    -0.00   0.00  -0.01    -0.00   0.02  -0.00
    10   7    -0.00  -0.00   0.00     0.01   0.01   0.00    -0.01  -0.01  -0.00
    11   6     0.00   0.03   0.01    -0.03  -0.06  -0.03     0.02   0.05   0.03
    12   6    -0.01  -0.02  -0.01     0.06   0.04   0.03    -0.04  -0.03  -0.03
    13   7     0.00   0.01   0.01    -0.01  -0.01   0.00     0.01   0.01   0.00
    14   1    -0.05  -0.20   0.15    -0.01   0.00  -0.01     0.03   0.14  -0.10
    15   1     0.27   0.11  -0.11    -0.03  -0.02   0.01    -0.18  -0.08   0.08
    16   1    -0.14   0.12  -0.14     0.06  -0.04   0.04     0.11  -0.09   0.10
    17   1     0.28   0.07   0.10    -0.06  -0.02  -0.03    -0.19  -0.05  -0.08
    18   1    -0.10  -0.02  -0.06     0.17   0.05   0.14    -0.14  -0.04  -0.10
    19   1     0.08  -0.07   0.05    -0.22   0.17  -0.10     0.16  -0.12   0.08
    20   1     0.01   0.03   0.03    -0.03  -0.19  -0.14     0.02   0.14   0.10
    21   1     0.06  -0.07  -0.03    -0.20   0.20   0.10     0.14  -0.15  -0.08
    22   1     0.07  -0.06  -0.08     0.12  -0.13  -0.12     0.10  -0.10  -0.10
    23   1     0.02   0.18   0.06     0.03   0.23   0.09     0.02   0.20   0.08
    24   1    -0.14  -0.06   0.11    -0.12  -0.04   0.10    -0.13  -0.05   0.10
    25   1     0.05   0.19  -0.08     0.06   0.21  -0.08     0.06   0.20  -0.08
    26   1     0.06   0.22  -0.02     0.05   0.23  -0.03     0.05   0.23  -0.04
    27   1    -0.08  -0.11   0.01    -0.07  -0.17   0.03    -0.06  -0.16   0.02
    28   1     0.03   0.19   0.02     0.04   0.26   0.02     0.04   0.23   0.04
    29   1    -0.01  -0.16  -0.02     0.03  -0.16  -0.01    -0.01  -0.17  -0.02
    30   1     0.07  -0.06  -0.01    -0.23   0.22   0.03     0.17  -0.16  -0.04
    31   1    -0.07   0.06   0.02     0.11  -0.18  -0.02    -0.11   0.13   0.02
    32   1     0.10  -0.08   0.01    -0.24   0.19  -0.03     0.18  -0.15   0.04
    33   1    -0.07   0.01   0.00     0.19  -0.10   0.03    -0.14   0.09  -0.02
    34   1     0.31   0.09   0.03    -0.08  -0.02  -0.00    -0.22  -0.07  -0.04
    35   1    -0.23  -0.02  -0.03     0.03  -0.02  -0.01     0.17   0.03   0.02
    36   1     0.31   0.12  -0.03    -0.03  -0.01   0.01    -0.21  -0.08   0.04
    37   1    -0.18  -0.13   0.02     0.06   0.01  -0.01     0.15   0.08  -0.02
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1047.5131              1047.6047              1050.7942
 Red. masses --      3.1933                 3.1927                 3.1353
 Frc consts  --      2.0645                 2.0645                 2.0397
 IR Inten    --     68.9239                68.6282                 0.0195
 RamAct Fr= 1--      0.5229                 0.5259                 2.2818
  Dep-P Fr= 1--      0.7494                 0.7499                 0.3838
  Dep-U Fr= 1--      0.8567                 0.8571                 0.5547
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0179
 Beta2  Fr= 1--      0.0747                 0.0751                 0.2110
 AlphaG Fr= 1--     -0.0000                -0.0000                -0.0758
 Gamma2 Fr= 1--      1.7824                 1.7964                 1.1447
 Delta2 Fr= 1--      0.8738                 0.8801                 1.6326
 Raman1 Fr= 1--       2.092                  2.104                  9.127
 ROA1   Fr= 1--     199.069                200.615                162.134
 CID1   Fr= 1--      95.167                 95.366                 17.763
 Raman2 Fr= 1--       0.896                  0.902                  2.532
 ROA2   Fr= 1--      35.787                 36.072                 14.412
 CID2   Fr= 1--      39.938                 40.012                  5.692
 Raman3 Fr= 1--       1.792                  1.803                  5.063
 ROA3   Fr= 1--     199.069                200.615                162.134
 CID3   Fr= 1--     111.080                111.266                 32.021
 RC180  Fr= 1--       0.713                  0.714                  0.109
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.04   0.03   0.06     0.10   0.06   0.17     0.08   0.05   0.13
     2   6    -0.03   0.03  -0.06    -0.07   0.09  -0.17    -0.05   0.07  -0.13
     3   7     0.01  -0.04   0.01     0.03  -0.11   0.01     0.03  -0.08   0.01
     4  45     0.00   0.00   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
     5   7    -0.03  -0.04  -0.00    -0.07  -0.09  -0.01    -0.06  -0.07  -0.01
     6   7    -0.12   0.02   0.01    -0.02   0.00   0.00     0.08  -0.01  -0.01
     7   6     0.11  -0.06  -0.18     0.01  -0.01  -0.03    -0.07   0.04   0.12
     8   6     0.05   0.11   0.18     0.01   0.02   0.03    -0.03  -0.08  -0.12
     9   7    -0.09  -0.09  -0.01    -0.01  -0.02  -0.00     0.06   0.06   0.01
    10   7    -0.08   0.02   0.01     0.09  -0.03  -0.01    -0.09   0.02   0.01
    11   6     0.08   0.01  -0.11    -0.09  -0.01   0.14     0.09   0.01  -0.13
    12   6     0.00  -0.07   0.11    -0.01   0.10  -0.14     0.00  -0.09   0.13
    13   7    -0.03   0.07  -0.01     0.04  -0.09   0.01    -0.03   0.08  -0.01
    14   1     0.11   0.10   0.35     0.02   0.03   0.06    -0.08  -0.08  -0.26
    15   1     0.13   0.15   0.22     0.01   0.02   0.02    -0.09  -0.10  -0.15
    16   1     0.15  -0.02  -0.35     0.01   0.00  -0.05    -0.11   0.01   0.26
    17   1     0.19  -0.04  -0.22     0.04  -0.01  -0.04    -0.14   0.03   0.15
    18   1     0.10  -0.03  -0.22    -0.10   0.03   0.27     0.11  -0.03  -0.26
    19   1     0.11  -0.02  -0.13    -0.16   0.03   0.18     0.14  -0.03  -0.15
    20   1     0.03  -0.07   0.21    -0.05   0.12  -0.28     0.05  -0.11   0.27
    21   1     0.04  -0.12   0.14    -0.04   0.14  -0.17     0.04  -0.13   0.15
    22   1    -0.01   0.04  -0.12    -0.04   0.14  -0.33    -0.03   0.11  -0.27
    23   1    -0.03   0.08  -0.09    -0.06   0.17  -0.20    -0.05   0.14  -0.15
    24   1     0.04   0.05   0.13     0.08   0.11   0.33     0.07   0.09   0.27
    25   1     0.04   0.04   0.07     0.12   0.13   0.20     0.10   0.11   0.15
    26   1    -0.03  -0.03  -0.02    -0.06  -0.03  -0.04    -0.05  -0.02  -0.02
    27   1     0.01   0.07  -0.02    -0.00   0.15  -0.05    -0.01   0.09  -0.03
    28   1     0.02  -0.00   0.02     0.04  -0.06   0.04     0.03  -0.04   0.02
    29   1     0.03   0.04   0.02     0.06   0.15   0.05     0.04   0.07   0.03
    30   1     0.01   0.03  -0.03     0.01  -0.07   0.04     0.00   0.05  -0.02
    31   1     0.08  -0.04  -0.03    -0.12   0.07   0.04     0.08  -0.03  -0.03
    32   1    -0.06  -0.00   0.03     0.05   0.02  -0.04    -0.05  -0.01   0.02
    33   1     0.07  -0.08   0.03    -0.07   0.10  -0.04     0.04  -0.07   0.03
    34   1    -0.06   0.04   0.05     0.01   0.01   0.01     0.04  -0.03  -0.02
    35   1     0.14   0.08   0.05     0.01   0.01   0.01    -0.06  -0.05  -0.03
    36   1    -0.02  -0.07  -0.05    -0.02  -0.02  -0.01     0.01   0.05   0.02
    37   1     0.16   0.02  -0.05     0.03   0.01  -0.01    -0.08  -0.00   0.03
                     46                     47                     48
                      A                      A                      A
 Frequencies --   1108.4617              1117.7034              1118.3114
 Red. masses --      1.0212                 1.0268                 1.0266
 Frc consts  --      0.7393                 0.7557                 0.7565
 IR Inten    --      0.9199                 0.0040                 0.0027
 RamAct Fr= 1--      0.0013                 0.7077                 0.7007
  Dep-P Fr= 1--      0.6207                 0.7500                 0.7499
  Dep-U Fr= 1--      0.7659                 0.8571                 0.8571
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0000
 Beta2  Fr= 1--      0.0002                 0.1011                 0.1001
 AlphaG Fr= 1--     -0.0000                 0.0000                -0.0000
 Gamma2 Fr= 1--     -0.0009                -0.6284                -0.6148
 Delta2 Fr= 1--     -0.0003                -0.3742                -0.3629
 Raman1 Fr= 1--       0.005                  2.831                  2.803
 ROA1   Fr= 1--      -0.094                -72.306                -70.636
 CID1   Fr= 1--     -18.624                -25.542                -25.202
 Raman2 Fr= 1--       0.002                  1.213                  1.201
 ROA2   Fr= 1--      -0.019                -12.089                -11.853
 CID2   Fr= 1--      -9.758                 -9.964                 -9.868
 Raman3 Fr= 1--       0.004                  2.426                  2.402
 ROA3   Fr= 1--      -0.094                -72.306                -70.636
 CID3   Fr= 1--     -24.315                -29.799                -29.405
 RC180  Fr= 1--       0.532                  0.714                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00  -0.00     0.00   0.01  -0.00    -0.00  -0.00   0.01
     2   6     0.00  -0.00   0.00    -0.00  -0.01  -0.01     0.00   0.00  -0.00
     3   7    -0.00  -0.01   0.00     0.00  -0.01   0.01    -0.00   0.00  -0.01
     4  45     0.00  -0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
     5   7     0.00   0.01   0.00     0.01   0.01   0.01    -0.00  -0.01  -0.01
     6   7    -0.01  -0.00   0.00     0.01  -0.00  -0.01     0.00  -0.00  -0.01
     7   6    -0.00   0.00  -0.00     0.01   0.00   0.01     0.00   0.00  -0.00
     8   6    -0.00   0.00   0.00    -0.01  -0.00   0.00    -0.00  -0.00   0.01
     9   7     0.01   0.00   0.00    -0.01  -0.01  -0.01    -0.01  -0.01  -0.01
    10   7    -0.01   0.01   0.00     0.00  -0.00   0.00    -0.01   0.00   0.01
    11   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.01   0.01  -0.00
    12   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.01  -0.00  -0.01
    13   7     0.01  -0.01   0.00     0.00  -0.00   0.00     0.00  -0.01   0.01
    14   1     0.05   0.09   0.09    -0.07  -0.10  -0.09    -0.03  -0.04  -0.05
    15   1    -0.11  -0.13  -0.18     0.14   0.15   0.20     0.07   0.08   0.11
    16   1    -0.10   0.04   0.09     0.11  -0.03  -0.09     0.07  -0.03  -0.05
    17   1     0.16  -0.04  -0.18    -0.20   0.04   0.20    -0.11   0.02   0.10
    18   1    -0.10   0.00   0.09    -0.02  -0.00   0.00    -0.14   0.01   0.11
    19   1     0.15  -0.03  -0.17     0.01  -0.00  -0.00     0.23  -0.05  -0.24
    20   1     0.02  -0.10   0.09     0.00   0.01   0.00     0.03  -0.14   0.11
    21   1    -0.04   0.15  -0.17    -0.00   0.01  -0.02    -0.08   0.22  -0.24
    22   1     0.05  -0.09   0.09     0.05  -0.10   0.09    -0.04   0.07  -0.05
    23   1    -0.06   0.15  -0.17    -0.06   0.19  -0.20     0.04  -0.11   0.11
    24   1     0.08   0.06   0.09     0.10   0.08   0.09    -0.04  -0.04  -0.05
    25   1    -0.11  -0.11  -0.17    -0.13  -0.16  -0.20     0.08   0.09   0.12
    26   1    -0.08  -0.26   0.01    -0.10  -0.32  -0.00     0.05   0.18   0.00
    27   1     0.09   0.09   0.00     0.11   0.17  -0.00    -0.08  -0.09  -0.00
    28   1     0.02   0.27   0.01     0.03   0.32  -0.00    -0.02  -0.20  -0.00
    29   1     0.05  -0.12   0.00     0.05  -0.19  -0.00    -0.01   0.12   0.01
    30   1    -0.18   0.20   0.01    -0.01   0.01  -0.00    -0.26   0.28  -0.00
    31   1     0.03  -0.12   0.00    -0.01  -0.01   0.00     0.10  -0.21  -0.00
    32   1     0.22  -0.15   0.01     0.02  -0.01   0.00     0.31  -0.22  -0.00
    33   1    -0.13   0.01   0.00    -0.01   0.02  -0.00    -0.22   0.07  -0.00
    34   1     0.28   0.06   0.01    -0.31  -0.07   0.00    -0.17  -0.04  -0.00
    35   1    -0.13   0.04   0.00     0.19  -0.02   0.00     0.11   0.01   0.01
    36   1    -0.26  -0.12   0.01     0.30   0.13   0.00     0.15   0.07   0.01
    37   1     0.08   0.11  -0.00    -0.16  -0.13   0.01    -0.07  -0.08  -0.00
                     49                     50                     51
                      A                      A                      A
 Frequencies --   1171.7747              1172.1504              1193.0513
 Red. masses --      1.0716                 1.0712                 1.0616
 Frc consts  --      0.8669                 0.8671                 0.8903
 IR Inten    --     69.5740                69.4777                 0.0021
 RamAct Fr= 1--      9.5216                 9.5174                 7.2257
  Dep-P Fr= 1--      0.7500                 0.7500                 0.2383
  Dep-U Fr= 1--      0.8571                 0.8571                 0.3849
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0885
 Beta2  Fr= 1--      1.3602                 1.3596                 0.4635
 AlphaG Fr= 1--      0.0000                 0.0000                -0.1737
 Gamma2 Fr= 1--      1.5901                 1.6300                -0.8036
 Delta2 Fr= 1--      5.5068                 5.5145                -5.1190
 Raman1 Fr= 1--      38.087                 38.069                 28.903
 ROA1   Fr= 1--     328.870                332.940               -240.949
 CID1   Fr= 1--       8.635                  8.746                 -8.337
 Raman2 Fr= 1--      16.323                 16.315                  5.562
 ROA2   Fr= 1--      -5.891                 -4.996                 21.666
 CID2   Fr= 1--      -0.361                 -0.306                  3.895
 Raman3 Fr= 1--      32.646                 32.631                 11.124
 ROA3   Fr= 1--     328.870                332.940               -240.949
 CID3   Fr= 1--      10.074                 10.203                -21.661
 RC180  Fr= 1--       0.714                  0.714                 -0.230
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00   0.01
     2   6    -0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.01
     3   7    -0.00  -0.01  -0.00    -0.00  -0.04  -0.02     0.00  -0.02  -0.01
     4  45     0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     5   7    -0.00  -0.01   0.01    -0.01  -0.03   0.02    -0.01  -0.02   0.01
     6   7    -0.03  -0.01  -0.02    -0.00  -0.00  -0.00     0.02  -0.00   0.01
     7   6    -0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.01
     8   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.01
     9   7    -0.03  -0.01   0.02    -0.01  -0.00   0.00     0.02   0.02  -0.01
    10   7    -0.02   0.01  -0.01     0.02  -0.01   0.01    -0.02   0.01  -0.01
    11   6    -0.00  -0.00   0.00     0.00  -0.00   0.00     0.00   0.00  -0.01
    12   6    -0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.01
    13   7    -0.01   0.02   0.01     0.02  -0.02  -0.01    -0.01   0.02   0.01
    14   1    -0.13  -0.18  -0.24    -0.03  -0.04  -0.05     0.10   0.15   0.17
    15   1     0.02   0.02   0.02    -0.00   0.00   0.00    -0.02  -0.01  -0.02
    16   1    -0.22   0.07   0.24    -0.04   0.01   0.05     0.17  -0.06  -0.17
    17   1     0.02   0.00  -0.01     0.01   0.00  -0.00    -0.02   0.00   0.02
    18   1    -0.16   0.01   0.17     0.17  -0.02  -0.18    -0.18   0.01   0.17
    19   1     0.01  -0.00  -0.01    -0.02   0.01   0.01     0.02  -0.01  -0.02
    20   1    -0.04   0.15  -0.16     0.04  -0.17   0.18    -0.04   0.18  -0.17
    21   1     0.01  -0.02   0.01    -0.01   0.01  -0.01     0.01  -0.02   0.02
    22   1     0.03  -0.07   0.07     0.09  -0.20   0.24     0.08  -0.16   0.17
    23   1     0.00   0.01  -0.00    -0.00   0.02  -0.01    -0.00   0.02  -0.02
    24   1    -0.06  -0.05  -0.08    -0.16  -0.15  -0.23    -0.13  -0.12  -0.17
    25   1     0.00   0.00   0.00     0.01   0.02   0.01     0.01   0.02   0.02
    26   1     0.02   0.08  -0.03     0.04   0.20  -0.10     0.03   0.15  -0.06
    27   1     0.03   0.15  -0.02     0.08   0.35  -0.04     0.07   0.26  -0.03
    28   1     0.01   0.06   0.03     0.04   0.21   0.11     0.03   0.15   0.06
    29   1     0.01   0.10   0.01     0.07   0.38   0.04     0.03   0.27   0.03
    30   1     0.10  -0.09  -0.07    -0.13   0.11   0.08     0.11  -0.10  -0.06
    31   1     0.17  -0.17  -0.03    -0.23   0.21   0.04     0.19  -0.19  -0.03
    32   1     0.12  -0.10   0.08    -0.12   0.10  -0.08     0.11  -0.10   0.06
    33   1     0.22  -0.18   0.03    -0.21   0.17  -0.03     0.22  -0.17   0.03
    34   1     0.20   0.07   0.11     0.03   0.01   0.02    -0.14  -0.05  -0.06
    35   1     0.37   0.12   0.04     0.05   0.01   0.00    -0.27  -0.07  -0.03
    36   1     0.20   0.07  -0.11     0.05   0.02  -0.02    -0.14  -0.05   0.06
    37   1     0.35   0.13  -0.04     0.10   0.03  -0.01    -0.25  -0.11   0.03
                     52                     53                     54
                      A                      A                      A
 Frequencies --   1225.7487              1226.1536              1247.0729
 Red. masses --      1.2483                 1.2468                 1.2371
 Frc consts  --      1.1050                 1.1045                 1.1336
 IR Inten    --      0.0051                 0.0031                38.5500
 RamAct Fr= 1--      6.7892                 6.8138                 0.0014
  Dep-P Fr= 1--      0.7500                 0.7500                 0.3191
  Dep-U Fr= 1--      0.8571                 0.8571                 0.4838
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0000
 Beta2  Fr= 1--      0.9699                 0.9734                 0.0001
 AlphaG Fr= 1--      0.0000                -0.0000                 0.0000
 Gamma2 Fr= 1--     -6.7279                -6.7539                -0.0010
 Delta2 Fr= 1--     -0.4382                -0.4214                -0.0002
 Raman1 Fr= 1--      27.157                 27.255                  0.006
 ROA1   Fr= 1--    -659.900               -661.855                 -0.104
 CID1   Fr= 1--     -24.300                -24.284                -18.632
 Raman2 Fr= 1--      11.639                 11.681                  0.001
 ROA2   Fr= 1--    -157.964               -158.721                 -0.023
 CID2   Fr= 1--     -13.572                -13.588                -17.320
 Raman3 Fr= 1--      23.277                 23.362                  0.003
 ROA3   Fr= 1--    -659.900               -661.855                 -0.104
 CID3   Fr= 1--     -28.349                -28.331                -38.513
 RC180  Fr= 1--       0.714                  0.714                 -0.032
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.02  -0.01    -0.00  -0.03   0.02    -0.00  -0.03   0.01
     2   6    -0.01  -0.02  -0.01     0.00   0.04   0.02     0.01   0.03   0.01
     3   7     0.01   0.03   0.02    -0.00  -0.05  -0.03    -0.01  -0.04  -0.02
     4  45     0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
     5   7    -0.01  -0.03   0.02     0.01   0.05  -0.03     0.01   0.04  -0.02
     6   7    -0.05  -0.01  -0.04    -0.00   0.00   0.00    -0.04  -0.01  -0.02
     7   6     0.04   0.01   0.02     0.00  -0.01   0.00     0.03   0.01   0.01
     8   6    -0.04  -0.01   0.02    -0.00   0.01   0.00    -0.03  -0.01   0.01
     9   7     0.05   0.02  -0.04     0.00  -0.00  -0.00     0.04   0.01  -0.02
    10   7     0.02  -0.01   0.02     0.04  -0.03   0.03    -0.03   0.03  -0.02
    11   6    -0.02   0.01  -0.01    -0.02   0.03  -0.02     0.02  -0.02   0.01
    12   6     0.02  -0.01  -0.01     0.03  -0.03  -0.02    -0.02   0.02   0.01
    13   7    -0.02   0.02   0.02    -0.03   0.04   0.03     0.03  -0.03  -0.02
    14   1     0.02   0.04   0.16    -0.02  -0.03  -0.02     0.00   0.02   0.09
    15   1     0.00  -0.02  -0.01     0.01   0.01  -0.00     0.03   0.01   0.02
    16   1    -0.04   0.02   0.16    -0.03   0.01   0.02    -0.01   0.01   0.09
    17   1     0.01  -0.02  -0.01     0.01  -0.00   0.00    -0.03  -0.01   0.02
    18   1     0.05   0.00  -0.09     0.02   0.00  -0.13    -0.02  -0.01   0.09
    19   1    -0.02  -0.00   0.00    -0.01  -0.01   0.01    -0.03   0.02   0.02
    20   1     0.00  -0.01  -0.07    -0.01   0.06  -0.15    -0.00  -0.02   0.09
    21   1    -0.01  -0.00   0.01    -0.01  -0.02   0.01     0.02  -0.02   0.02
    22   1     0.00  -0.01  -0.07     0.03  -0.05   0.15     0.01  -0.01   0.09
    23   1     0.01   0.00   0.01    -0.02   0.01  -0.00    -0.00  -0.03   0.02
    24   1    -0.04  -0.03  -0.10     0.02   0.01   0.13     0.02   0.01   0.09
    25   1     0.01   0.01   0.00    -0.01   0.00  -0.01     0.01   0.03   0.02
    26   1     0.01   0.10  -0.07    -0.03  -0.18   0.14    -0.02  -0.12   0.07
    27   1     0.09   0.26  -0.02    -0.10  -0.38   0.03    -0.09  -0.35   0.04
    28   1    -0.03  -0.11  -0.08     0.04   0.17   0.13     0.02   0.11   0.07
    29   1    -0.04  -0.22  -0.02     0.04   0.42   0.03     0.05   0.36   0.04
    30   1     0.09  -0.07  -0.08     0.14  -0.11  -0.13    -0.09   0.08   0.07
    31   1     0.15  -0.14  -0.02     0.29  -0.32  -0.03    -0.26   0.25   0.04
    32   1    -0.07   0.07  -0.07    -0.13   0.13  -0.14     0.09  -0.08   0.07
    33   1    -0.22   0.14  -0.02    -0.32   0.24  -0.03     0.28  -0.22   0.04
    34   1     0.19   0.08   0.15    -0.01  -0.00  -0.01     0.12   0.04   0.08
    35   1     0.46   0.11   0.04     0.04  -0.01   0.00     0.35   0.10   0.04
    36   1    -0.20  -0.06   0.15    -0.01  -0.01   0.01    -0.11  -0.04   0.08
    37   1    -0.43  -0.19   0.04     0.01   0.02  -0.00    -0.34  -0.14   0.04
                     55                     56                     57
                      A                      A                      A
 Frequencies --   1291.1171              1291.1475              1296.0330
 Red. masses --      1.4120                 1.4127                 1.3762
 Frc consts  --      1.3868                 1.3875                 1.3620
 IR Inten    --      0.5905                 0.6152                 0.0035
 RamAct Fr= 1--      2.0800                 2.0880                 5.7207
  Dep-P Fr= 1--      0.7424                 0.7454                 0.0153
  Dep-U Fr= 1--      0.8522                 0.8541                 0.0301
 Alpha2 Fr= 1--      0.0003                 0.0002                 0.1227
 Beta2  Fr= 1--      0.2954                 0.2972                 0.0287
 AlphaG Fr= 1--      0.0001                 0.0001                 0.0091
 Gamma2 Fr= 1--      0.8270                 0.8233                 1.0915
 Delta2 Fr= 1--      0.1902                 0.1868                 0.7305
 Raman1 Fr= 1--       8.320                  8.352                 22.883
 ROA1   Fr= 1--      85.477                 85.010                128.157
 CID1   Fr= 1--      10.274                 10.179                  5.601
 Raman2 Fr= 1--       3.545                  3.567                  0.345
 ROA2   Fr= 1--      18.326                 18.264                 20.351
 CID2   Fr= 1--       5.170                  5.121                 59.062
 Raman3 Fr= 1--       7.090                  7.134                  0.689
 ROA3   Fr= 1--      85.477                 85.010                128.157
 CID3   Fr= 1--      12.056                 11.917                185.970
 RC180  Fr= 1--       0.704                  0.708                 -0.940
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.06  -0.02  -0.03    -0.07   0.02   0.03    -0.06   0.02   0.03
     2   6    -0.06   0.01   0.03     0.07  -0.01  -0.03     0.06  -0.01  -0.03
     3   7     0.02   0.01  -0.02    -0.02  -0.01   0.01    -0.02  -0.01   0.01
     4  45     0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
     5   7    -0.01   0.02   0.01     0.02  -0.02  -0.02     0.02  -0.01  -0.02
     6   7     0.00  -0.01   0.01    -0.01  -0.03   0.02     0.00   0.02  -0.01
     7   6    -0.01   0.03  -0.02    -0.02   0.09  -0.04     0.02  -0.06   0.03
     8   6     0.02  -0.03   0.01     0.03  -0.08   0.04    -0.02   0.05  -0.03
     9   7    -0.01   0.01  -0.00    -0.03   0.02  -0.02     0.01  -0.01   0.01
    10   7     0.00   0.03   0.02     0.00   0.00   0.01     0.00   0.02   0.02
    11   6    -0.05  -0.07  -0.04    -0.01  -0.01  -0.01    -0.04  -0.05  -0.03
    12   6     0.06   0.06   0.04     0.01   0.01   0.00     0.05   0.05   0.03
    13   7    -0.03  -0.01  -0.02    -0.01   0.00   0.00    -0.02  -0.01  -0.02
    14   1     0.01   0.03  -0.05     0.04   0.08  -0.07    -0.01  -0.02   0.06
    15   1    -0.01   0.02   0.12    -0.06   0.02   0.29     0.03  -0.03  -0.22
    16   1     0.03  -0.01   0.01     0.09  -0.04   0.08    -0.03   0.01  -0.06
    17   1    -0.03  -0.02  -0.11    -0.02  -0.05  -0.29     0.01   0.04   0.22
    18   1     0.09   0.01   0.08     0.01  -0.00  -0.01     0.04   0.00   0.07
    19   1    -0.00   0.06  -0.29    -0.02   0.02  -0.04     0.01   0.05  -0.25
    20   1     0.01  -0.09  -0.07    -0.00  -0.02  -0.03     0.00  -0.04  -0.07
    21   1    -0.06   0.00   0.28    -0.00  -0.01   0.04    -0.05  -0.01   0.25
    22   1     0.03  -0.06  -0.04    -0.04   0.06   0.07    -0.02   0.03   0.07
    23   1     0.03   0.04   0.20    -0.04  -0.02  -0.23    -0.04  -0.02  -0.23
    24   1    -0.06  -0.04   0.07     0.06   0.04  -0.05     0.03   0.02  -0.06
    25   1    -0.03   0.03  -0.20     0.02  -0.05   0.22     0.03  -0.03   0.23
    26   1    -0.10  -0.25  -0.02     0.11   0.26   0.04     0.10   0.24   0.02
    27   1     0.10   0.11   0.01    -0.13  -0.14  -0.01    -0.11  -0.14  -0.01
    28   1     0.01  -0.25   0.03    -0.00   0.29  -0.03     0.00   0.26  -0.02
    29   1    -0.06   0.17  -0.01     0.06  -0.15   0.01     0.05  -0.17   0.01
    30   1     0.22  -0.29   0.04     0.04  -0.05  -0.00     0.17  -0.22   0.02
    31   1    -0.07   0.23  -0.01    -0.00   0.01  -0.00    -0.07   0.18  -0.01
    32   1     0.32  -0.18  -0.04     0.04  -0.02  -0.01     0.24  -0.14  -0.02
    33   1    -0.22   0.04   0.01    -0.06   0.01   0.00    -0.19   0.04   0.01
    34   1     0.14   0.01  -0.02     0.37   0.05  -0.04    -0.24  -0.03   0.02
    35   1    -0.11   0.03   0.01    -0.23   0.05   0.01     0.17  -0.02  -0.01
    36   1     0.13   0.08   0.01     0.31   0.19   0.04    -0.20  -0.12  -0.02
    37   1    -0.04  -0.05  -0.00    -0.15  -0.19  -0.01     0.12   0.12   0.01
                     58                     59                     60
                      A                      A                      A
 Frequencies --   1331.8475              1332.0743              1341.4251
 Red. masses --      1.1854                 1.1859                 1.1699
 Frc consts  --      1.2389                 1.2398                 1.2403
 IR Inten    --     25.1226                25.3078                 0.0075
 RamAct Fr= 1--      4.6169                 4.5240                 1.8746
  Dep-P Fr= 1--      0.7500                 0.7500                 0.2047
  Dep-U Fr= 1--      0.8571                 0.8571                 0.3399
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0251
 Beta2  Fr= 1--      0.6595                 0.6463                 0.1062
 AlphaG Fr= 1--      0.0000                -0.0000                 0.0618
 Gamma2 Fr= 1--     -7.0894                -7.0454                 2.5084
 Delta2 Fr= 1--     -6.9282                -6.8676                 1.3751
 Raman1 Fr= 1--      18.468                 18.096                  7.498
 ROA1   Fr= 1--    -902.285               -896.117                284.814
 CID1   Fr= 1--     -48.858                -49.520                 37.984
 Raman2 Fr= 1--       7.915                  7.755                  1.274
 ROA2   Fr= 1--    -114.721               -114.148                 49.201
 CID2   Fr= 1--     -14.495                -14.718                 38.613
 Raman3 Fr= 1--      15.829                 15.511                  2.548
 ROA3   Fr= 1--    -902.285               -896.117                284.814
 CID3   Fr= 1--     -57.002                -57.773                111.760
 RC180  Fr= 1--       0.714                  0.714                 -0.320
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.00  -0.01    -0.00   0.01  -0.04    -0.01   0.01  -0.03
     2   6    -0.00   0.00   0.01     0.01   0.01   0.04     0.01   0.01   0.03
     3   7    -0.00  -0.01  -0.01    -0.04  -0.03  -0.02    -0.02  -0.03  -0.01
     4  45     0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
     5   7     0.01  -0.01   0.00     0.02  -0.05   0.02     0.01  -0.03   0.01
     6   7    -0.03  -0.04  -0.02    -0.01  -0.01  -0.01     0.02   0.03   0.01
     7   6     0.00   0.01   0.04     0.01  -0.00   0.01    -0.00  -0.01  -0.03
     8   6     0.01  -0.00  -0.04     0.00  -0.01  -0.01    -0.01   0.01   0.03
     9   7    -0.04   0.01   0.02    -0.02   0.01   0.00     0.03  -0.01  -0.01
    10   7    -0.01   0.04  -0.01     0.01  -0.03   0.01    -0.01   0.03  -0.01
    11   6    -0.00  -0.01   0.03    -0.01   0.01  -0.03    -0.00  -0.01   0.03
    12   6     0.01  -0.00  -0.03    -0.01  -0.00   0.03     0.01   0.00  -0.03
    13   7    -0.03   0.01   0.01     0.04  -0.00  -0.01    -0.04   0.01   0.01
    14   1     0.16   0.23   0.20     0.07   0.09   0.10    -0.12  -0.16  -0.15
    15   1    -0.10  -0.14  -0.23    -0.06  -0.07  -0.08     0.10   0.11   0.16
    16   1     0.29  -0.09  -0.24     0.06  -0.02  -0.03    -0.19   0.05   0.15
    17   1    -0.19   0.05   0.24    -0.02   0.01   0.06     0.15  -0.03  -0.16
    18   1     0.25  -0.03  -0.20    -0.18   0.01   0.12     0.20  -0.02  -0.15
    19   1    -0.17   0.03   0.19     0.10  -0.01  -0.16    -0.15   0.03   0.16
    20   1     0.04  -0.20   0.14    -0.05   0.22  -0.19     0.05  -0.20   0.15
    21   1    -0.02   0.11  -0.17     0.05  -0.15   0.18    -0.05   0.15  -0.16
    22   1    -0.02   0.03  -0.01    -0.13   0.28  -0.24    -0.08   0.18  -0.15
    23   1     0.01  -0.00   0.04     0.08  -0.18   0.25     0.05  -0.15   0.16
    24   1     0.06   0.07   0.09     0.22   0.20   0.22     0.14   0.13   0.15
    25   1    -0.05  -0.06  -0.07    -0.13  -0.13  -0.24    -0.10  -0.11  -0.16
    26   1     0.03   0.06  -0.01     0.08   0.19  -0.07     0.07   0.18  -0.04
    27   1    -0.02   0.02  -0.01    -0.00   0.16  -0.02     0.01   0.11  -0.02
    28   1     0.00   0.02   0.02     0.00   0.21   0.06     0.00   0.20   0.04
    29   1    -0.00   0.05   0.00     0.07   0.14   0.02     0.04   0.10   0.02
    30   1     0.09  -0.11  -0.05    -0.10   0.13   0.04     0.13  -0.16  -0.04
    31   1     0.10  -0.07  -0.01    -0.09   0.03   0.02     0.10  -0.06  -0.02
    32   1     0.15  -0.09   0.05    -0.10   0.06  -0.05     0.17  -0.10   0.04
    33   1     0.05  -0.10   0.02    -0.08   0.08  -0.01     0.07  -0.09   0.02
    34   1     0.21   0.03   0.06     0.04   0.01   0.03    -0.20  -0.03  -0.04
    35   1     0.12   0.09   0.02     0.06   0.01   0.00    -0.10  -0.05  -0.02
    36   1     0.17   0.09  -0.07     0.07   0.05  -0.01    -0.17  -0.09   0.04
    37   1     0.15   0.02  -0.02     0.04  -0.02  -0.01    -0.11  -0.02   0.02
                     61                     62                     63
                      A                      A                      A
 Frequencies --   1346.2580              1348.4601              1348.5031
 Red. masses --      1.1927                 1.1917                 1.1913
 Frc consts  --      1.2736                 1.2767                 1.2764
 IR Inten    --     11.9941                 4.1926                 4.3316
 RamAct Fr= 1--      0.0205                10.6124                10.5540
  Dep-P Fr= 1--      0.7349                 0.7500                 0.7500
  Dep-U Fr= 1--      0.8472                 0.8571                 0.8571
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0000
 Beta2  Fr= 1--      0.0029                 1.5160                 1.5077
 AlphaG Fr= 1--      0.0000                 0.0000                 0.0000
 Gamma2 Fr= 1--      0.0134                12.4713                12.5172
 Delta2 Fr= 1--     -0.0015                 2.7801                 2.8377
 Raman1 Fr= 1--       0.082                 42.450                 42.216
 ROA1   Fr= 1--       1.242               1286.209               1292.456
 CID1   Fr= 1--      15.159                 30.300                 30.615
 Raman2 Fr= 1--       0.035                 18.192                 18.092
 ROA2   Fr= 1--       0.334                277.071                277.710
 CID2   Fr= 1--       9.624                 15.230                 15.349
 Raman3 Fr= 1--       0.069                 36.384                 36.185
 ROA3   Fr= 1--       1.242               1286.209               1292.456
 CID3   Fr= 1--      17.893                 35.351                 35.718
 RC180  Fr= 1--       0.694                  0.714                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04  -0.01  -0.01    -0.04  -0.00  -0.01     0.04   0.01   0.00
     2   6    -0.03   0.02  -0.01    -0.03   0.02  -0.00     0.03  -0.02   0.01
     3   7     0.03   0.01  -0.00     0.02   0.01  -0.00    -0.03  -0.02   0.00
     4  45     0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     5   7     0.02  -0.03  -0.00     0.02  -0.03  -0.00    -0.02   0.02   0.00
     6   7     0.01   0.03  -0.00    -0.02  -0.04   0.00    -0.01  -0.01  -0.00
     7   6     0.03  -0.03  -0.01    -0.03   0.04   0.01    -0.00   0.01   0.01
     8   6    -0.00  -0.04  -0.01     0.00   0.05   0.01     0.00   0.01  -0.00
     9   7    -0.03   0.02  -0.00     0.04  -0.02   0.00    -0.00  -0.00   0.00
    10   7    -0.00  -0.03  -0.00     0.00  -0.02   0.00    -0.00  -0.04  -0.00
    11   6     0.03   0.02  -0.01     0.02   0.01  -0.01     0.05   0.02  -0.01
    12   6     0.01   0.03  -0.01     0.00   0.02   0.00     0.02   0.05  -0.01
    13   7    -0.03  -0.01  -0.00    -0.01  -0.00  -0.00    -0.05  -0.01  -0.00
    14   1     0.13   0.16   0.22    -0.18  -0.23  -0.28    -0.01  -0.02  -0.02
    15   1    -0.12  -0.11  -0.05     0.14   0.14   0.08     0.00   0.00  -0.01
    16   1    -0.20   0.05   0.22     0.26  -0.07  -0.27     0.08  -0.02  -0.08
    17   1     0.15  -0.01  -0.05    -0.18   0.02   0.07    -0.06   0.01   0.04
    18   1    -0.19   0.03   0.20    -0.12   0.02   0.12    -0.27   0.03   0.27
    19   1     0.14  -0.04  -0.05     0.09  -0.03  -0.04     0.18  -0.05  -0.07
    20   1     0.05  -0.18   0.21     0.02  -0.07   0.07     0.08  -0.28   0.28
    21   1    -0.06   0.13  -0.05    -0.01   0.04  -0.01    -0.08   0.19  -0.08
    22   1     0.07  -0.19   0.22     0.07  -0.16   0.17    -0.09   0.21  -0.23
    23   1    -0.03   0.15  -0.05    -0.03   0.11  -0.03     0.04  -0.16   0.07
    24   1     0.14   0.15   0.22     0.15   0.15   0.21    -0.14  -0.13  -0.19
    25   1    -0.09  -0.13  -0.05    -0.09  -0.12  -0.07     0.08   0.10   0.04
    26   1     0.09   0.20  -0.01     0.10   0.22  -0.01    -0.09  -0.19   0.01
    27   1    -0.08  -0.03  -0.01    -0.05   0.00  -0.01     0.06   0.02   0.01
    28   1     0.01  -0.22  -0.01     0.01  -0.18  -0.00    -0.00   0.26   0.01
    29   1    -0.06   0.06  -0.01    -0.05   0.04  -0.01     0.05  -0.02   0.01
    30   1     0.11  -0.16  -0.01     0.04  -0.06   0.00     0.19  -0.26  -0.01
    31   1     0.02   0.08  -0.01     0.00   0.04  -0.01     0.03   0.07  -0.02
    32   1    -0.18   0.09  -0.01    -0.13   0.07  -0.01    -0.27   0.15  -0.01
    33   1     0.08   0.02  -0.01     0.01   0.02  -0.01     0.07   0.04  -0.02
    34   1    -0.21  -0.02  -0.01     0.30   0.03   0.01     0.09   0.01   0.01
    35   1     0.06  -0.05  -0.01    -0.05   0.06   0.02     0.01   0.01   0.00
    36   1     0.19   0.12  -0.01    -0.28  -0.17   0.01    -0.01  -0.01  -0.00
    37   1    -0.02  -0.08  -0.01    -0.00   0.08   0.02     0.01   0.02   0.00
                     64                     65                     66
                      A                      A                      A
 Frequencies --   1404.5241              1405.5276              1405.7048
 Red. masses --      1.2649                 1.2670                 1.2666
 Frc consts  --      1.4702                 1.4747                 1.4746
 IR Inten    --      0.0749                 1.3551                 1.3702
 RamAct Fr= 1--      0.0117                 2.2179                 2.2163
  Dep-P Fr= 1--      0.7499                 0.7500                 0.7500
  Dep-U Fr= 1--      0.8571                 0.8571                 0.8571
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0000
 Beta2  Fr= 1--      0.0017                 0.3168                 0.3166
 AlphaG Fr= 1--      0.0000                -0.0000                -0.0000
 Gamma2 Fr= 1--     -0.0133                -2.8088                -2.8417
 Delta2 Fr= 1--     -0.0054                -1.2000                -1.2081
 Raman1 Fr= 1--       0.047                  8.872                  8.865
 ROA1   Fr= 1--      -1.450               -308.042               -311.466
 CID1   Fr= 1--     -31.081                -34.722                -35.133
 Raman2 Fr= 1--       0.020                  3.802                  3.799
 ROA2   Fr= 1--      -0.276                -57.810                -58.537
 CID2   Fr= 1--     -13.822                -15.204                -15.407
 Raman3 Fr= 1--       0.040                  7.604                  7.599
 ROA3   Fr= 1--      -1.450               -308.042               -311.466
 CID3   Fr= 1--     -36.264                -40.509                -40.988
 RC180  Fr= 1--       0.714                  0.714                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.03   0.04    -0.00  -0.01  -0.02     0.01   0.05   0.07
     2   6    -0.00  -0.03   0.04     0.00   0.01  -0.02    -0.01  -0.05   0.07
     3   7     0.01  -0.01  -0.01    -0.00   0.00   0.00     0.01  -0.01  -0.02
     4  45    -0.00   0.00   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
     5   7     0.01   0.00  -0.01    -0.01  -0.00   0.01     0.02   0.00  -0.02
     6   7    -0.01   0.01  -0.02    -0.01   0.01  -0.02     0.00  -0.00   0.00
     7   6    -0.04  -0.01   0.05    -0.04  -0.01   0.06     0.01   0.00  -0.02
     8   6     0.04   0.01   0.05     0.04   0.02   0.06    -0.01  -0.01  -0.02
     9   7     0.00   0.02  -0.02     0.00   0.02  -0.02    -0.00  -0.01   0.01
    10   7    -0.01  -0.00  -0.01     0.01   0.01   0.02     0.01   0.01   0.01
    11   6    -0.03   0.02   0.04     0.03  -0.02  -0.05     0.02  -0.02  -0.04
    12   6     0.02  -0.02   0.04    -0.03   0.03  -0.05    -0.02   0.02  -0.05
    13   7    -0.00  -0.01  -0.01     0.00   0.01   0.02     0.00   0.01   0.01
    14   1    -0.09  -0.12  -0.20    -0.10  -0.12  -0.25     0.03   0.04   0.07
    15   1    -0.16  -0.20  -0.21    -0.17  -0.23  -0.25     0.07   0.08   0.08
    16   1     0.14  -0.04  -0.20     0.16  -0.04  -0.24    -0.04   0.00   0.08
    17   1     0.25  -0.06  -0.21     0.28  -0.08  -0.26    -0.06   0.02   0.07
    18   1     0.13  -0.01  -0.17    -0.14   0.02   0.20    -0.11   0.02   0.18
    19   1     0.22  -0.04  -0.18    -0.26   0.04   0.22    -0.20   0.02   0.18
    20   1    -0.03   0.13  -0.17     0.04  -0.13   0.21     0.03  -0.12   0.17
    21   1    -0.07   0.21  -0.18     0.06  -0.23   0.21     0.06  -0.22   0.19
    22   1    -0.06   0.12  -0.17     0.01  -0.04   0.08    -0.07   0.16  -0.26
    23   1    -0.08   0.21  -0.18     0.03  -0.06   0.07    -0.12   0.30  -0.28
    24   1    -0.09  -0.09  -0.17     0.04   0.03   0.07    -0.12  -0.12  -0.27
    25   1    -0.15  -0.16  -0.18     0.07   0.08   0.08    -0.22  -0.22  -0.28
    26   1     0.04   0.08   0.02    -0.02  -0.05  -0.01     0.07   0.13   0.03
    27   1    -0.06  -0.08  -0.01     0.02   0.03   0.00    -0.07  -0.11  -0.01
    28   1     0.01  -0.09   0.02    -0.00   0.02  -0.01     0.01  -0.15   0.03
    29   1    -0.02   0.10  -0.01     0.01  -0.04   0.00    -0.02   0.13  -0.01
    30   1     0.05  -0.08   0.02    -0.06   0.09  -0.02    -0.06   0.09  -0.02
    31   1    -0.04   0.09  -0.01     0.05  -0.09   0.01     0.05  -0.08   0.01
    32   1    -0.09   0.04   0.02     0.12  -0.06  -0.02     0.08  -0.04  -0.02
    33   1     0.10  -0.03  -0.01    -0.10   0.04   0.01    -0.09   0.03   0.01
    34   1    -0.11  -0.00   0.02    -0.14  -0.01   0.03     0.03   0.00  -0.01
    35   1     0.12  -0.01  -0.01     0.12  -0.00  -0.01    -0.04   0.01   0.00
    36   1     0.09   0.06   0.02     0.11   0.08   0.03    -0.05  -0.03  -0.01
    37   1    -0.09  -0.08  -0.01    -0.09  -0.08  -0.01     0.03   0.02   0.00
                     67                     68                     69
                      A                      A                      A
 Frequencies --   1443.1425              1443.4477              1446.5816
 Red. masses --      1.4440                 1.4419                 1.4480
 Frc consts  --      1.7718                 1.7700                 1.7853
 IR Inten    --      3.8558                 3.8701                 0.0073
 RamAct Fr= 1--      0.3482                 0.3450                 0.8526
  Dep-P Fr= 1--      0.7495                 0.7498                 0.5349
  Dep-U Fr= 1--      0.8568                 0.8570                 0.6969
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0035
 Beta2  Fr= 1--      0.0497                 0.0493                 0.0990
 AlphaG Fr= 1--     -0.0001                -0.0000                -0.0677
 Gamma2 Fr= 1--      0.5711                 0.5752                 0.1986
 Delta2 Fr= 1--      0.4673                 0.4691                 0.3366
 Raman1 Fr= 1--       1.393                  1.380                  3.410
 ROA1   Fr= 1--      69.780                 70.232                 29.840
 CID1   Fr= 1--      50.096                 50.893                  8.750
 Raman2 Fr= 1--       0.597                  0.591                  1.188
 ROA2   Fr= 1--       9.969                 10.052                  2.075
 CID2   Fr= 1--      16.705                 16.999                  1.746
 Raman3 Fr= 1--       1.193                  1.183                  2.377
 ROA3   Fr= 1--      69.780                 70.232                 29.840
 CID3   Fr= 1--      58.467                 59.386                 12.554
 RC180  Fr= 1--       0.714                  0.714                  0.394
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.01   0.03     0.03   0.02   0.09     0.03   0.01   0.08
     2   6    -0.01   0.01  -0.03    -0.02   0.03  -0.10    -0.02   0.02  -0.07
     3   7    -0.00   0.00   0.01    -0.01   0.01   0.03    -0.01   0.01   0.02
     4  45    -0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
     5   7     0.01   0.00  -0.01     0.01   0.01  -0.03     0.01   0.01  -0.02
     6   7     0.01  -0.01   0.03     0.00  -0.00   0.01    -0.01   0.00  -0.02
     7   6     0.03  -0.02  -0.10     0.00  -0.00  -0.02    -0.02   0.01   0.07
     8   6     0.01   0.04   0.10     0.00   0.01   0.02    -0.01  -0.02  -0.07
     9   7     0.01   0.01  -0.03     0.00   0.00  -0.00    -0.01  -0.01   0.02
    10   7     0.01   0.00   0.02    -0.01  -0.00  -0.02     0.01   0.00   0.02
    11   6     0.02   0.00  -0.06    -0.03  -0.00   0.08     0.03   0.00  -0.07
    12   6    -0.00  -0.02   0.06    -0.00   0.03  -0.08     0.00  -0.03   0.07
    13   7     0.00  -0.01  -0.02     0.00   0.01   0.02     0.00  -0.01  -0.02
    14   1    -0.11  -0.07  -0.19    -0.03  -0.03  -0.04     0.08   0.07   0.12
    15   1    -0.14  -0.27  -0.36    -0.04  -0.06  -0.07     0.10   0.18   0.23
    16   1    -0.14  -0.01   0.19    -0.02  -0.01   0.03     0.10  -0.01  -0.12
    17   1    -0.28   0.13   0.37    -0.04   0.03   0.07     0.19  -0.08  -0.23
    18   1    -0.08   0.04   0.12     0.09  -0.05  -0.14    -0.10   0.04   0.13
    19   1    -0.20  -0.00   0.23     0.23   0.02  -0.28    -0.22  -0.00   0.25
    20   1    -0.05   0.06  -0.11     0.06  -0.10   0.14    -0.05   0.10  -0.13
    21   1    -0.01   0.18  -0.22     0.03  -0.25   0.28    -0.03   0.22  -0.25
    22   1    -0.01  -0.03   0.06     0.01  -0.13   0.17     0.02  -0.11   0.13
    23   1     0.05  -0.06   0.11     0.15  -0.25   0.34     0.11  -0.20   0.25
    24   1    -0.03  -0.04  -0.06    -0.05  -0.11  -0.17    -0.06  -0.10  -0.13
    25   1    -0.08  -0.07  -0.12    -0.23  -0.16  -0.34    -0.18  -0.14  -0.26
    26   1     0.02   0.03   0.01     0.05   0.08   0.06     0.04   0.05   0.05
    27   1    -0.03  -0.05  -0.00    -0.05  -0.14  -0.01    -0.04  -0.14  -0.00
    28   1    -0.01   0.03  -0.03    -0.02   0.10  -0.06    -0.02   0.06  -0.05
    29   1    -0.01  -0.04   0.00     0.00  -0.15   0.01    -0.01  -0.14  -0.00
    30   1     0.03  -0.06   0.05    -0.04   0.07  -0.04     0.03  -0.06   0.05
    31   1    -0.07   0.07  -0.00     0.08  -0.10   0.00    -0.09   0.10   0.00
    32   1     0.06  -0.02  -0.03    -0.07   0.02   0.06     0.06  -0.02  -0.05
    33   1    -0.09   0.05   0.00     0.10  -0.07  -0.00    -0.11   0.08  -0.00
    34   1     0.10  -0.01  -0.06     0.02  -0.00  -0.02    -0.06   0.01   0.05
    35   1    -0.16  -0.02   0.01    -0.03  -0.02   0.00     0.13   0.03   0.00
    36   1     0.08   0.07   0.07     0.02   0.01   0.00    -0.04  -0.04  -0.05
    37   1    -0.15  -0.08  -0.01    -0.03  -0.03  -0.00     0.12   0.05  -0.00
                     70                     71                     72
                      A                      A                      A
 Frequencies --   1502.6718              1502.9195              1503.0272
 Red. masses --      1.0825                 1.0796                 1.0836
 Frc consts  --      1.4402                 1.4367                 1.4422
 IR Inten    --     44.5735                18.2203                 8.9762
 RamAct Fr= 1--      2.0965                 2.6662                 7.5793
  Dep-P Fr= 1--      0.3268                 0.7470                 0.1531
  Dep-U Fr= 1--      0.4926                 0.8552                 0.2656
 Alpha2 Fr= 1--      0.0198                 0.0001                 0.1162
 Beta2  Fr= 1--      0.1721                 0.3800                 0.3355
 AlphaG Fr= 1--      0.0572                 0.0005                 0.3371
 Gamma2 Fr= 1--     -0.0059                 1.2017                 0.3924
 Delta2 Fr= 1--      0.1182                 0.8709                 0.3724
 Raman1 Fr= 1--       8.386                 10.665                 30.317
 ROA1   Fr= 1--       3.214                143.237                 49.590
 CID1   Fr= 1--       0.383                 13.431                  1.636
 Raman2 Fr= 1--       2.065                  4.560                  4.026
 ROA2   Fr= 1--      -1.087                 21.874                  6.439
 CID2   Fr= 1--      -0.527                  4.797                  1.599
 Raman3 Fr= 1--       4.131                  9.120                  8.052
 ROA3   Fr= 1--       3.214                143.237                 49.590
 CID3   Fr= 1--       0.778                 15.705                  6.159
 RC180  Fr= 1--      -0.015                  0.710                 -0.469
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.01     0.00   0.00   0.00    -0.00  -0.01   0.00
     2   6     0.01  -0.01  -0.01    -0.01   0.02   0.02     0.01  -0.04  -0.04
     3   7    -0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.01  -0.00
     4  45    -0.00   0.00   0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
     5   7    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     6   7    -0.01  -0.00  -0.00    -0.01   0.00  -0.00     0.00  -0.00   0.00
     7   6    -0.05   0.01  -0.04    -0.03   0.00  -0.03     0.01  -0.00   0.01
     8   6    -0.00   0.00  -0.01    -0.01  -0.01   0.00     0.01   0.01  -0.01
     9   7     0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    10   7    -0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.01   0.00  -0.00
    11   6    -0.01   0.00  -0.01    -0.02   0.01  -0.00    -0.04   0.01  -0.03
    12   6     0.01  -0.03  -0.03    -0.02   0.04   0.04    -0.01   0.02   0.01
    13   7     0.00  -0.00  -0.00    -0.00   0.01   0.00     0.00   0.01   0.00
    14   1    -0.01  -0.05   0.03    -0.00   0.05  -0.03     0.00  -0.13   0.09
    15   1    -0.03   0.03   0.06     0.07   0.02  -0.00    -0.14   0.00   0.06
    16   1     0.29  -0.37   0.29     0.21  -0.26   0.20    -0.07   0.09  -0.07
    17   1     0.39   0.30   0.22     0.30   0.21   0.14    -0.10  -0.07  -0.04
    18   1     0.12   0.06   0.08     0.09   0.06   0.07     0.31   0.18   0.22
    19   1     0.05  -0.12   0.08     0.10  -0.11   0.02     0.21  -0.33   0.15
    20   1     0.11   0.29   0.19    -0.16  -0.40  -0.27    -0.08  -0.18  -0.12
    21   1    -0.30   0.12   0.15     0.42  -0.19  -0.19     0.20  -0.11  -0.06
    22   1    -0.13   0.08   0.10     0.19  -0.11  -0.13    -0.34   0.20   0.25
    23   1     0.08   0.13   0.08    -0.11  -0.21  -0.10     0.21   0.37   0.18
    24   1    -0.07  -0.01   0.05     0.01   0.00  -0.00     0.04   0.00  -0.03
    25   1     0.03  -0.06   0.06    -0.01   0.01  -0.01     0.02   0.06   0.01
    26   1    -0.01  -0.03   0.02    -0.00  -0.01  -0.00     0.00   0.00   0.02
    27   1     0.03   0.00   0.00    -0.01  -0.00  -0.00     0.03   0.01   0.00
    28   1     0.00   0.01   0.00     0.00   0.00   0.01     0.00   0.02  -0.01
    29   1     0.01  -0.00   0.00     0.01  -0.01   0.00    -0.00   0.01  -0.00
    30   1    -0.01   0.01  -0.00     0.00  -0.00   0.02    -0.00   0.00   0.02
    31   1    -0.00  -0.00  -0.00    -0.01  -0.03   0.00    -0.01  -0.03   0.00
    32   1     0.01  -0.01   0.01    -0.01   0.00  -0.03     0.00  -0.00  -0.02
    33   1    -0.02  -0.01   0.00     0.04   0.02  -0.00     0.02   0.01  -0.00
    34   1     0.02   0.01  -0.01    -0.02  -0.00  -0.03    -0.01  -0.00   0.01
    35   1     0.01   0.00  -0.00     0.02  -0.02  -0.00    -0.01   0.00   0.00
    36   1    -0.01  -0.01   0.02     0.01   0.00   0.01    -0.02  -0.01   0.00
    37   1     0.00   0.04   0.00     0.00   0.02   0.00    -0.00   0.00   0.00
                     73                     74                     75
                      A                      A                      A
 Frequencies --   1503.3185              1503.5781              1503.9600
 Red. masses --      1.0792                 1.0792                 1.0798
 Frc consts  --      1.4370                 1.4375                 1.4391
 IR Inten    --      4.8342                21.8620                 6.1460
 RamAct Fr= 1--     13.8879                 3.6417                12.9329
  Dep-P Fr= 1--      0.7492                 0.7124                 0.6480
  Dep-U Fr= 1--      0.8566                 0.8320                 0.7864
 Alpha2 Fr= 1--      0.0002                 0.0024                 0.0237
 Beta2  Fr= 1--      1.9827                 0.5050                 1.6950
 AlphaG Fr= 1--      0.0005                 0.0071                 0.0680
 Gamma2 Fr= 1--     -5.9665                 1.3897                -4.1180
 Delta2 Fr= 1--     -1.4426                 1.0783                -0.7457
 Raman1 Fr= 1--      55.552                 14.567                 51.732
 ROA1   Fr= 1--    -618.949                167.916               -419.191
 CID1   Fr= 1--     -11.142                 11.527                 -8.103
 Raman2 Fr= 1--      23.793                  6.060                 20.340
 ROA2   Fr= 1--    -131.656                 24.726                -92.867
 CID2   Fr= 1--      -5.533                  4.080                 -4.566
 Raman3 Fr= 1--      47.586                 12.120                 40.681
 ROA3   Fr= 1--    -618.949                167.916               -419.191
 CID3   Fr= 1--     -13.007                 13.854                -10.304
 RC180  Fr= 1--       0.713                  0.664                  0.573
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.01   0.00    -0.01  -0.02   0.02    -0.04  -0.04   0.05
     2   6     0.01  -0.04  -0.03     0.00  -0.01  -0.00    -0.00   0.00   0.01
     3   7     0.00  -0.01  -0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
     4  45     0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
     5   7    -0.00   0.00   0.00    -0.00  -0.00   0.00    -0.01  -0.01   0.00
     6   7    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
     7   6    -0.01   0.00  -0.01    -0.00  -0.00   0.01    -0.00   0.00  -0.01
     8   6    -0.01  -0.01   0.00    -0.04  -0.04   0.04     0.01   0.01  -0.02
     9   7     0.00  -0.00   0.00    -0.01  -0.01   0.00     0.00   0.00  -0.00
    10   7     0.01  -0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    11   6     0.04  -0.01   0.04    -0.01   0.00  -0.01     0.00  -0.00  -0.00
    12   6    -0.00   0.01   0.02     0.00  -0.01  -0.01     0.00  -0.01  -0.00
    13   7    -0.00   0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    14   1    -0.00   0.07  -0.04     0.01   0.54  -0.33    -0.00  -0.21   0.13
    15   1     0.09   0.02  -0.02     0.58   0.01  -0.24    -0.22  -0.00   0.10
    16   1     0.08  -0.11   0.08    -0.02   0.01  -0.01     0.04  -0.04   0.03
    17   1     0.13   0.08   0.05     0.02  -0.03  -0.05     0.03   0.04   0.04
    18   1    -0.37  -0.21  -0.26     0.13   0.07   0.08    -0.01  -0.01  -0.01
    19   1    -0.22   0.39  -0.20     0.09  -0.13   0.06    -0.02   0.02   0.00
    20   1    -0.06  -0.17  -0.11     0.03   0.07   0.04     0.02   0.05   0.03
    21   1     0.17  -0.04  -0.11    -0.07   0.02   0.04    -0.06   0.04   0.01
    22   1    -0.30   0.18   0.21    -0.05   0.03   0.04     0.06  -0.04  -0.04
    23   1     0.17   0.34   0.14     0.02   0.07   0.01    -0.05  -0.03  -0.07
    24   1     0.06   0.00  -0.04     0.21   0.03  -0.13     0.55   0.08  -0.34
    25   1     0.02   0.08   0.00    -0.02   0.22  -0.09    -0.07   0.59  -0.25
    26   1    -0.00  -0.01   0.02     0.00   0.00   0.01    -0.00   0.00   0.02
    27   1     0.03   0.01   0.00     0.01   0.00   0.00     0.01   0.01   0.00
    28   1    -0.00  -0.02  -0.02     0.00   0.00  -0.01    -0.00  -0.01  -0.02
    29   1    -0.03   0.02  -0.00    -0.01   0.01  -0.00    -0.04   0.02  -0.00
    30   1     0.01  -0.01  -0.01     0.00  -0.00  -0.00     0.02  -0.02  -0.01
    31   1     0.01   0.03  -0.00     0.00  -0.00   0.00     0.01   0.02  -0.00
    32   1    -0.01   0.01   0.01    -0.02   0.01  -0.02     0.01  -0.01   0.01
    33   1     0.00   0.00   0.00     0.02   0.01  -0.00    -0.01  -0.01   0.00
    34   1    -0.01  -0.00  -0.01    -0.00  -0.00  -0.02     0.01   0.00   0.01
    35   1     0.01  -0.01  -0.00     0.03  -0.03  -0.00    -0.01   0.01   0.00
    36   1    -0.02  -0.01   0.02     0.00  -0.00   0.02     0.00   0.00  -0.01
    37   1    -0.00   0.03   0.00     0.01   0.02   0.00    -0.00  -0.00  -0.00
                     76                     77                     78
                      A                      A                      A
 Frequencies --   1643.7687              1657.2017              1657.7968
 Red. masses --      1.0765                 1.0784                 1.0781
 Frc consts  --      1.7137                 1.7450                 1.7457
 IR Inten    --     84.6136                39.8373                41.2688
 RamAct Fr= 1--      0.0140                 6.4028                 6.0296
  Dep-P Fr= 1--      0.7476                 0.7500                 0.7500
  Dep-U Fr= 1--      0.8556                 0.8571                 0.8571
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0000
 Beta2  Fr= 1--      0.0020                 0.9147                 0.8614
 AlphaG Fr= 1--      0.0000                 0.0000                -0.0001
 Gamma2 Fr= 1--      0.0065                 3.8255                 3.2590
 Delta2 Fr= 1--      0.0089                 5.6172                 5.2384
 Raman1 Fr= 1--       0.056                 25.611                 24.118
 ROA1   Fr= 1--       0.911                546.999                480.490
 CID1   Fr= 1--      16.293                 21.358                 19.922
 Raman2 Fr= 1--       0.024                 10.976                 10.336
 ROA2   Fr= 1--       0.085                 46.875                 36.309
 CID2   Fr= 1--       3.537                  4.271                  3.513
 Raman3 Fr= 1--       0.048                 21.952                 20.673
 ROA3   Fr= 1--       0.911                546.999                480.490
 CID3   Fr= 1--      19.044                 24.918                 23.243
 RC180  Fr= 1--       0.711                  0.714                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00     0.00  -0.00   0.01    -0.00   0.00  -0.01
     2   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.01    -0.00  -0.00   0.00
     3   7    -0.02   0.01  -0.02    -0.02   0.02  -0.02    -0.01   0.01  -0.01
     4  45    -0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
     5   7    -0.02  -0.01  -0.02     0.01   0.00   0.01    -0.03  -0.01  -0.02
     6   7     0.02  -0.02  -0.02    -0.02   0.01   0.02    -0.02   0.02   0.02
     7   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.01
     8   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.01
     9   7    -0.00  -0.02  -0.02     0.00   0.02   0.02    -0.00  -0.03  -0.02
    10   7     0.02   0.01  -0.02    -0.01  -0.00   0.01    -0.03  -0.01   0.02
    11   6     0.00   0.00  -0.00     0.00  -0.00   0.01     0.00  -0.01   0.01
    12   6     0.00   0.00  -0.00     0.01  -0.00  -0.01    -0.00  -0.00  -0.00
    13   7     0.01   0.02  -0.02     0.01   0.03  -0.02    -0.00  -0.01   0.01
    14   1     0.01   0.02  -0.00    -0.01  -0.01   0.00     0.02  -0.02   0.03
    15   1     0.00  -0.01  -0.01     0.00   0.01   0.01    -0.04  -0.00   0.01
    16   1    -0.02   0.01  -0.00     0.01  -0.00   0.00     0.00   0.02  -0.03
    17   1     0.00  -0.01  -0.01    -0.00   0.01   0.01    -0.03  -0.02  -0.01
    18   1    -0.02  -0.00  -0.00    -0.01  -0.02  -0.03     0.01  -0.01  -0.01
    19   1     0.01   0.01  -0.01    -0.01   0.02  -0.01    -0.02   0.01   0.00
    20   1     0.00  -0.02   0.00     0.02   0.00   0.02     0.00   0.01   0.01
    21   1     0.01   0.01  -0.01    -0.02   0.02   0.00    -0.01   0.00   0.00
    22   1     0.01  -0.02  -0.00    -0.02  -0.01   0.02     0.01  -0.01  -0.01
    23   1    -0.01   0.00  -0.01     0.01   0.03   0.00    -0.01  -0.01  -0.01
    24   1     0.02   0.01  -0.00     0.02  -0.01  -0.03    -0.00   0.01   0.01
    25   1    -0.01   0.00  -0.01    -0.00   0.03  -0.01    -0.01  -0.02  -0.00
    26   1     0.06   0.08   0.27    -0.04  -0.05  -0.16     0.07   0.10   0.31
    27   1     0.28  -0.04   0.02    -0.17   0.02  -0.01     0.34  -0.02   0.03
    28   1     0.03  -0.11   0.28     0.04  -0.13   0.36     0.01  -0.04   0.12
    29   1     0.29  -0.07   0.02     0.37  -0.12   0.03     0.12  -0.04   0.01
    30   1     0.04  -0.10   0.29     0.05  -0.13   0.36    -0.01   0.03  -0.10
    31   1    -0.19  -0.24   0.02    -0.23  -0.33   0.03     0.05   0.09  -0.01
    32   1    -0.10   0.03   0.26     0.05  -0.01  -0.13     0.12  -0.03  -0.31
    33   1    -0.19  -0.19   0.02     0.10   0.10  -0.01     0.25   0.23  -0.03
    34   1    -0.10   0.01   0.27     0.09  -0.01  -0.24     0.12  -0.02  -0.33
    35   1    -0.10   0.26   0.02     0.11  -0.23  -0.02     0.15  -0.33  -0.03
    36   1     0.07   0.07   0.26    -0.07  -0.07  -0.25     0.08   0.08   0.30
    37   1    -0.08   0.27   0.02     0.05  -0.27  -0.02    -0.08   0.32   0.03
                     79                     80                     81
                      A                      A                      A
 Frequencies --   1659.4543              1667.5236              1668.0859
 Red. masses --      1.0788                 1.0780                 1.0776
 Frc consts  --      1.7504                 1.7660                 1.7667
 IR Inten    --      0.3598                31.2951                32.9982
 RamAct Fr= 1--      3.3194                 5.4496                 5.1730
  Dep-P Fr= 1--      0.7500                 0.7500                 0.7500
  Dep-U Fr= 1--      0.8571                 0.8571                 0.8571
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0000
 Beta2  Fr= 1--      0.4742                 0.7785                 0.7390
 AlphaG Fr= 1--     -0.0010                -0.0000                -0.0000
 Gamma2 Fr= 1--    -10.4060                 5.1259                 4.9162
 Delta2 Fr= 1--     -4.2834                 0.0975                -0.0524
 Raman1 Fr= 1--      13.277                 21.798                 20.692
 ROA1   Fr= 1--   -1136.045                495.202                470.277
 CID1   Fr= 1--     -85.562                 22.717                 22.728
 Raman2 Fr= 1--       5.690                  9.342                  8.868
 ROA2   Fr= 1--    -215.476                122.241                118.407
 CID2   Fr= 1--     -37.868                 13.085                 13.352
 Raman3 Fr= 1--      11.380                 18.684                 17.736
 ROA3   Fr= 1--   -1136.045                495.202                470.277
 CID3   Fr= 1--     -99.825                 26.504                 26.516
 RC180  Fr= 1--       0.714                  0.714                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.01     0.00  -0.00   0.00    -0.00   0.00  -0.01
     2   6     0.00   0.00   0.01     0.00   0.00   0.01     0.00   0.00   0.01
     3   7     0.02  -0.01   0.02     0.03  -0.02   0.02     0.01  -0.00   0.01
     4  45    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
     5   7    -0.03  -0.00  -0.02     0.01   0.00   0.01    -0.03  -0.01  -0.02
     6   7     0.01  -0.01  -0.01    -0.01   0.02   0.02    -0.02   0.02   0.02
     7   6     0.00  -0.00  -0.01     0.00   0.00   0.01     0.00   0.00   0.00
     8   6    -0.00   0.00   0.01     0.00  -0.00  -0.01    -0.00   0.00   0.00
     9   7     0.00   0.02   0.02    -0.00  -0.02  -0.02     0.00   0.02   0.02
    10   7    -0.02  -0.01   0.02     0.01   0.00  -0.01     0.03   0.01  -0.03
    11   6    -0.00  -0.00   0.01     0.00   0.00   0.00     0.00   0.00  -0.01
    12   6     0.00   0.00  -0.01     0.00   0.00  -0.01    -0.00   0.00   0.00
    13   7     0.01   0.02  -0.02     0.01   0.03  -0.02    -0.00  -0.00   0.00
    14   1    -0.01   0.00  -0.01     0.01  -0.00   0.02    -0.01  -0.01  -0.00
    15   1     0.00  -0.01  -0.01    -0.01   0.01   0.01     0.00   0.00   0.00
    16   1    -0.01  -0.01   0.01     0.01   0.01  -0.02     0.01   0.00  -0.01
    17   1    -0.00   0.01   0.02    -0.01  -0.01  -0.01    -0.00   0.00  -0.00
    18   1     0.00  -0.02  -0.02    -0.01  -0.00  -0.01    -0.01   0.01   0.02
    19   1    -0.00   0.02  -0.02     0.00   0.01  -0.01     0.00  -0.01   0.01
    20   1     0.02   0.00   0.02     0.01  -0.01   0.01    -0.01  -0.01  -0.01
    21   1    -0.02  -0.00   0.02    -0.01   0.00   0.01     0.01   0.00  -0.01
    22   1     0.01   0.01  -0.02     0.00   0.02  -0.01     0.01   0.00  -0.01
    23   1    -0.01  -0.01  -0.02    -0.00  -0.01  -0.00    -0.01  -0.00  -0.01
    24   1    -0.01   0.01   0.02    -0.01  -0.01   0.00    -0.00   0.02   0.02
    25   1     0.01  -0.01   0.02     0.01  -0.00   0.01     0.01  -0.01   0.01
    26   1     0.06   0.06   0.32    -0.03  -0.03  -0.18     0.07   0.07   0.34
    27   1     0.33  -0.04   0.03    -0.18   0.03  -0.02     0.36  -0.03   0.03
    28   1    -0.03   0.07  -0.29    -0.04   0.10  -0.36    -0.01   0.03  -0.08
    29   1    -0.29   0.07  -0.03    -0.36   0.11  -0.03    -0.08   0.04  -0.01
    30   1     0.02  -0.07   0.28     0.03  -0.10   0.37    -0.01   0.01  -0.03
    31   1    -0.18  -0.23   0.03    -0.22  -0.32   0.03     0.01   0.03  -0.00
    32   1     0.09  -0.01  -0.31    -0.03   0.00   0.12    -0.11   0.02   0.39
    33   1     0.23   0.23  -0.03    -0.08  -0.09   0.01    -0.30  -0.27   0.03
    34   1    -0.05   0.02   0.21     0.07  -0.01  -0.23     0.08  -0.02  -0.32
    35   1    -0.08   0.20   0.02     0.11  -0.22  -0.02     0.14  -0.31  -0.03
    36   1    -0.03  -0.05  -0.23     0.06   0.07   0.29    -0.05  -0.06  -0.28
    37   1     0.07  -0.23  -0.02    -0.06   0.30   0.02     0.07  -0.29  -0.02
                     82                     83                     84
                      A                      A                      A
 Frequencies --   3071.0024              3071.1302              3071.5942
 Red. masses --      1.0632                 1.0632                 1.0630
 Frc consts  --      5.9078                 5.9081                 5.9089
 IR Inten    --      5.9240                 5.1293                 5.3972
 RamAct Fr= 1--    196.2931               260.0567               250.6970
  Dep-P Fr= 1--      0.0454                 0.0344                 0.0362
  Dep-U Fr= 1--      0.0869                 0.0665                 0.0698
 Alpha2 Fr= 1--      3.9200                 5.3306                 5.1171
 Beta2  Fr= 1--      2.8420                 2.8828                 2.9183
 AlphaG Fr= 1--      0.1890                 0.2592                 0.2369
 Gamma2 Fr= 1--     10.8109                -0.2182                 1.8417
 Delta2 Fr= 1--      9.4108                 2.7539                 3.9853
 Raman1 Fr= 1--     785.172               1040.227               1002.788
 ROA1   Fr= 1--    1338.988                 67.183                304.336
 CID1   Fr= 1--       1.705                  0.065                  0.303
 Raman2 Fr= 1--      34.104                 34.593                 35.019
 ROA2   Fr= 1--     184.175                -27.267                 12.318
 CID2   Fr= 1--       5.400                 -0.788                  0.352
 Raman3 Fr= 1--      68.208                 69.186                 70.039
 ROA3   Fr= 1--    1338.988                 67.183                304.336
 CID3   Fr= 1--      19.631                  0.971                  4.345
 RC180  Fr= 1--      -0.826                 -0.867                 -0.860
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.03  -0.02   0.03
     2   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.02  -0.03  -0.03
     3   7    -0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     4  45    -0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
     5   7     0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
     6   7    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
     7   6     0.00  -0.00   0.00     0.03  -0.02   0.03     0.00  -0.00   0.00
     8   6     0.00   0.00  -0.00     0.01   0.03  -0.03     0.00   0.00  -0.00
     9   7    -0.00  -0.00   0.00     0.00  -0.00   0.00     0.00   0.00   0.00
    10   7    -0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
    11   6     0.03   0.00   0.03    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    12   6     0.00  -0.04  -0.04    -0.00   0.00   0.00    -0.00   0.00   0.00
    13   7     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    14   1    -0.03   0.01   0.01    -0.34   0.10   0.11    -0.01   0.00   0.00
    15   1     0.01  -0.04   0.02     0.16  -0.49   0.26     0.00  -0.01   0.01
    16   1    -0.02  -0.02  -0.01    -0.22  -0.30  -0.12    -0.00  -0.00  -0.00
    17   1    -0.01   0.04  -0.02    -0.18   0.51  -0.28    -0.00   0.01  -0.00
    18   1    -0.08   0.33  -0.11     0.01  -0.03   0.01     0.00  -0.00   0.00
    19   1    -0.34  -0.38  -0.26     0.03   0.03   0.02     0.00   0.00   0.00
    20   1    -0.38   0.04   0.12     0.03  -0.00  -0.01     0.01  -0.00  -0.00
    21   1     0.36   0.42   0.28    -0.03  -0.03  -0.02    -0.01  -0.01  -0.00
    22   1     0.00   0.00   0.00    -0.01  -0.01  -0.00     0.27   0.25   0.11
    23   1    -0.00   0.00   0.00     0.01  -0.00  -0.01    -0.51   0.11   0.27
    24   1    -0.00   0.01  -0.00     0.00  -0.01   0.00    -0.15   0.34  -0.12
    25   1     0.01  -0.00  -0.00    -0.01   0.00   0.00     0.52  -0.10  -0.27
    26   1    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.01   0.00  -0.00
    27   1    -0.00   0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
    28   1     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.01   0.00   0.00
    29   1     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    30   1    -0.01  -0.01   0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
    31   1     0.00  -0.01  -0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
    32   1     0.00   0.01  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    33   1     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    34   1     0.00  -0.00   0.00     0.00  -0.01  -0.00    -0.00  -0.00  -0.00
    35   1     0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00   0.00   0.00
    36   1    -0.00   0.00   0.00    -0.01   0.01   0.00    -0.00  -0.00   0.00
    37   1     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
                     85                     86                     87
                      A                      A                      A
 Frequencies --   3076.0315              3076.1921              3076.4755
 Red. masses --      1.0604                 1.0604                 1.0604
 Frc consts  --      5.9113                 5.9121                 5.9131
 IR Inten    --      3.5265                11.1498                10.0478
 RamAct Fr= 1--     15.3731                71.4782                64.4156
  Dep-P Fr= 1--      0.6953                 0.7499                 0.7500
  Dep-U Fr= 1--      0.8202                 0.8571                 0.8571
 Alpha2 Fr= 1--      0.0147                 0.0001                 0.0000
 Beta2  Fr= 1--      2.1016                10.2104                 9.2021
 AlphaG Fr= 1--      0.0003                 0.0000                 0.0000
 Gamma2 Fr= 1--     -1.7338                -8.2993                -7.6589
 Delta2 Fr= 1--     -1.7791                -8.5337                -7.6389
 Raman1 Fr= 1--      61.492                285.913                257.662
 ROA1   Fr= 1--    -223.381              -1069.814               -979.702
 CID1   Fr= 1--      -3.633                 -3.742                 -3.802
 Raman2 Fr= 1--      25.219                122.525                110.426
 ROA2   Fr= 1--     -27.379               -130.915               -122.704
 CID2   Fr= 1--      -1.086                 -1.068                 -1.111
 Raman3 Fr= 1--      50.439                245.050                220.851
 ROA3   Fr= 1--    -223.381              -1069.814               -979.702
 CID3   Fr= 1--      -4.429                 -4.366                 -4.436
 RC180  Fr= 1--       0.640                  0.714                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.01   0.01    -0.00  -0.00   0.00    -0.02  -0.03   0.03
     2   6    -0.00   0.01   0.01    -0.00   0.00   0.00    -0.01   0.04   0.03
     3   7     0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
     4  45     0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
     5   7     0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
     6   7     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     7   6     0.02  -0.00   0.02     0.03  -0.00   0.03    -0.01   0.00  -0.01
     8   6    -0.01  -0.01   0.02    -0.02  -0.02   0.03     0.00   0.00  -0.01
     9   7    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    10   7    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00   0.00   0.00
    11   6     0.03  -0.01   0.03    -0.02   0.01  -0.02    -0.00   0.00  -0.00
    12   6    -0.01   0.03   0.03     0.01  -0.02  -0.02     0.00  -0.00  -0.00
    13   7    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
    14   1     0.24  -0.07  -0.08     0.40  -0.12  -0.13    -0.08   0.02   0.02
    15   1    -0.07   0.22  -0.12    -0.12   0.36  -0.20     0.02  -0.07   0.04
    16   1    -0.15  -0.20  -0.07    -0.24  -0.32  -0.12     0.05   0.07   0.03
    17   1    -0.07   0.21  -0.11    -0.11   0.33  -0.18     0.02  -0.07   0.04
    18   1    -0.10   0.41  -0.13     0.06  -0.26   0.08     0.02  -0.07   0.02
    19   1    -0.25  -0.29  -0.20     0.16   0.18   0.13     0.04   0.05   0.03
    20   1     0.38  -0.04  -0.12    -0.25   0.03   0.08    -0.06   0.01   0.02
    21   1    -0.22  -0.26  -0.18     0.15   0.17   0.12     0.04   0.04   0.03
    22   1    -0.07  -0.07  -0.03    -0.02  -0.02  -0.01    -0.35  -0.33  -0.15
    23   1     0.09  -0.02  -0.05     0.03  -0.01  -0.01     0.42  -0.08  -0.22
    24   1    -0.04   0.09  -0.03    -0.02   0.03  -0.01    -0.19   0.43  -0.14
    25   1     0.09  -0.02  -0.05     0.03  -0.01  -0.02     0.41  -0.08  -0.22
    26   1    -0.00   0.00   0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
    27   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.01
    28   1    -0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
    29   1    -0.00   0.00   0.00     0.00   0.00   0.00    -0.00   0.00   0.01
    30   1     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    31   1    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    32   1    -0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
    33   1     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
    34   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    35   1     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    36   1     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    37   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
                     88                     89                     90
                      A                      A                      A
 Frequencies --   3116.6589              3116.7471              3116.9752
 Red. masses --      1.1078                 1.1079                 1.1080
 Frc consts  --      6.3401                 6.3408                 6.3426
 IR Inten    --     11.5299                10.4188                 1.2212
 RamAct Fr= 1--    141.2176               147.4170               194.8009
  Dep-P Fr= 1--      0.7333                 0.6165                 0.1272
  Dep-U Fr= 1--      0.8461                 0.7628                 0.2256
 Alpha2 Fr= 1--      0.0403                 0.3607                 3.1894
 Beta2  Fr= 1--     19.9147                18.7408                 7.3256
 AlphaG Fr= 1--     -0.0243                -0.2163                -1.9560
 Gamma2 Fr= 1--    -21.4408                -9.1128               105.9906
 Delta2 Fr= 1--    -35.5832               -25.1269                71.9881
 Raman1 Fr= 1--     564.870                589.668                779.204
 ROA1   Fr= 1--   -3196.976              -1678.891              12478.722
 CID1   Fr= 1--      -5.660                 -2.847                 16.015
 Raman2 Fr= 1--     238.976                224.889                 87.908
 ROA2   Fr= 1--    -229.912                -17.693               1967.870
 CID2   Fr= 1--      -0.962                 -0.079                 22.386
 Raman3 Fr= 1--     477.952                449.778                175.816
 ROA3   Fr= 1--   -3196.976              -1678.891              12478.722
 CID3   Fr= 1--      -6.689                 -3.733                 70.976
 RC180  Fr= 1--       0.692                  0.526                 -0.549
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00     0.03  -0.03   0.00     0.04  -0.04   0.00
     2   6     0.01   0.00   0.00    -0.04  -0.02  -0.00    -0.05  -0.02  -0.00
     3   7    -0.00   0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
     4  45     0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00   0.00
     5   7     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     6   7     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     7   6    -0.01  -0.04  -0.00    -0.01  -0.05  -0.00     0.01   0.03   0.00
     8   6    -0.03   0.02   0.00    -0.04   0.03   0.00     0.02  -0.02  -0.00
     9   7     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    10   7    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    11   6     0.01   0.05  -0.00    -0.00  -0.03   0.00     0.00   0.03  -0.00
    12   6    -0.05  -0.01   0.00     0.03   0.01  -0.00    -0.03  -0.01   0.00
    13   7     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    14   1     0.30  -0.08  -0.10     0.38  -0.10  -0.13    -0.24   0.07   0.08
    15   1     0.05  -0.18   0.10     0.07  -0.22   0.12    -0.04   0.14  -0.08
    16   1     0.19   0.25   0.10     0.24   0.32   0.13    -0.15  -0.20  -0.08
    17   1    -0.06   0.17  -0.10    -0.08   0.22  -0.13     0.05  -0.14   0.08
    18   1     0.12  -0.45   0.15    -0.06   0.22  -0.08     0.05  -0.21   0.07
    19   1    -0.18  -0.20  -0.14     0.09   0.10   0.07    -0.09  -0.09  -0.07
    20   1     0.47  -0.06  -0.16    -0.23   0.03   0.08     0.22  -0.03  -0.07
    21   1     0.17   0.21   0.15    -0.09  -0.10  -0.07     0.08   0.10   0.07
    22   1    -0.03  -0.03  -0.02     0.23   0.23   0.11     0.32   0.32   0.15
    23   1    -0.03   0.01   0.02     0.19  -0.04  -0.10     0.26  -0.06  -0.14
    24   1     0.02  -0.05   0.02    -0.13   0.30  -0.11    -0.18   0.42  -0.15
    25   1     0.03  -0.01  -0.02    -0.19   0.03   0.10    -0.27   0.05   0.14
    26   1    -0.00   0.00   0.00     0.01  -0.00  -0.00     0.01  -0.01  -0.00
    27   1    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    28   1     0.00  -0.00  -0.00    -0.01  -0.00   0.00    -0.01  -0.00   0.00
    29   1     0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    30   1    -0.01  -0.01  -0.00     0.01   0.00   0.00    -0.01  -0.00  -0.00
    31   1     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    32   1     0.01   0.01   0.00    -0.00  -0.01  -0.00     0.00   0.01   0.00
    33   1     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    34   1     0.00  -0.01   0.00    -0.00  -0.01   0.00     0.00   0.01  -0.00
    35   1     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
    36   1    -0.01   0.01  -0.00    -0.01   0.01  -0.00     0.00  -0.00   0.00
    37   1     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
                     91                     92                     93
                      A                      A                      A
 Frequencies --   3127.2569              3127.3503              3127.6214
 Red. masses --      1.1101                 1.1102                 1.1101
 Frc consts  --      6.3967                 6.3972                 6.3980
 IR Inten    --      1.0789                 3.9465                 4.4449
 RamAct Fr= 1--     75.6026                48.4682                42.7995
  Dep-P Fr= 1--      0.7500                 0.7500                 0.7500
  Dep-U Fr= 1--      0.8571                 0.8571                 0.8571
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0000
 Beta2  Fr= 1--     10.8004                 6.9240                 6.1142
 AlphaG Fr= 1--     -0.0000                -0.0000                -0.0000
 Gamma2 Fr= 1--    -51.1116               -32.7868               -29.1729
 Delta2 Fr= 1--     -6.5091                -4.1975                -3.7187
 Raman1 Fr= 1--     302.411                193.873                171.198
 ROA1   Fr= 1--   -5115.006              -3281.853              -2919.596
 CID1   Fr= 1--     -16.914                -16.928                -17.054
 Raman2 Fr= 1--     129.605                 83.088                 73.370
 ROA2   Fr= 1--   -1174.606               -753.303               -670.399
 CID2   Fr= 1--      -9.063                 -9.066                 -9.137
 Raman3 Fr= 1--     259.209                166.176                146.741
 ROA3   Fr= 1--   -5115.006              -3281.853              -2919.596
 CID3   Fr= 1--     -19.733                -19.749                -19.896
 RC180  Fr= 1--       0.714                  0.714                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.00    -0.01   0.01   0.00    -0.05   0.04   0.01
     2   6    -0.00  -0.00   0.00    -0.01  -0.00   0.00    -0.06  -0.02   0.01
     3   7     0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     4  45    -0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
     5   7     0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
     6   7    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00   0.00   0.00
     7   6    -0.00  -0.02   0.00     0.01   0.06  -0.01    -0.00  -0.01   0.00
     8   6     0.02  -0.02   0.00    -0.05   0.04  -0.01     0.01  -0.01   0.00
     9   7    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    10   7     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
    11   6    -0.02  -0.06  -0.01    -0.01  -0.02  -0.00     0.00   0.01   0.00
    12   6    -0.06  -0.02  -0.01    -0.02  -0.01  -0.00     0.01   0.00   0.00
    13   7     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    14   1    -0.16   0.04   0.05     0.42  -0.11  -0.14    -0.05   0.01   0.02
    15   1    -0.05   0.15  -0.08     0.13  -0.40   0.23    -0.02   0.05  -0.03
    16   1     0.10   0.13   0.05    -0.26  -0.34  -0.14     0.03   0.04   0.02
    17   1    -0.05   0.14  -0.08     0.14  -0.39   0.22    -0.02   0.05  -0.03
    18   1    -0.11   0.42  -0.15    -0.04   0.15  -0.05     0.01  -0.04   0.01
    19   1     0.28   0.31   0.23     0.10   0.11   0.08    -0.03  -0.03  -0.02
    20   1     0.43  -0.05  -0.14     0.15  -0.02  -0.05    -0.05   0.01   0.02
    21   1     0.26   0.32   0.22     0.09   0.11   0.08    -0.03  -0.03  -0.02
    22   1     0.02   0.01   0.01     0.05   0.05   0.02     0.32   0.32   0.15
    23   1     0.02  -0.00  -0.01     0.06  -0.01  -0.04     0.43  -0.10  -0.24
    24   1     0.01  -0.02   0.01     0.02  -0.06   0.02     0.18  -0.42   0.15
    25   1     0.02  -0.00  -0.01     0.06  -0.01  -0.03     0.43  -0.08  -0.24
    26   1    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.01   0.01   0.01
    27   1     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
    28   1    -0.00   0.00   0.00    -0.00  -0.00   0.00    -0.02  -0.00   0.01
    29   1     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    30   1    -0.01  -0.01  -0.01    -0.01  -0.00  -0.00     0.00  -0.00   0.00
    31   1     0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
    32   1    -0.00  -0.02  -0.01    -0.00  -0.01  -0.00     0.00   0.00   0.00
    33   1    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    34   1     0.00  -0.01   0.00     0.00   0.02  -0.01    -0.00  -0.00   0.00
    35   1     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    36   1     0.00  -0.00   0.00    -0.01   0.01  -0.01     0.00  -0.00   0.00
    37   1    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
                     94                     95                     96
                      A                      A                      A
 Frequencies --   3431.9158              3432.0260              3433.1910
 Red. masses --      1.0523                 1.0523                 1.0528
 Frc consts  --      7.3022                 7.3027                 7.3109
 IR Inten    --     50.8998                48.8915                72.3742
 RamAct Fr= 1--     11.7166                10.9347                 8.8902
  Dep-P Fr= 1--      0.6788                 0.7476                 0.7500
  Dep-U Fr= 1--      0.8087                 0.8555                 0.8571
 Alpha2 Fr= 1--      0.0147                 0.0005                 0.0000
 Beta2  Fr= 1--      1.5791                 1.5592                 1.2700
 AlphaG Fr= 1--      0.0026                 0.0004                -0.0000
 Gamma2 Fr= 1--     14.3955                14.1657                -3.3121
 Delta2 Fr= 1--      0.8509                 0.3416                 0.2502
 Raman1 Fr= 1--      46.866                 43.739                 35.561
 ROA1   Fr= 1--    1409.197               1370.837               -309.953
 CID1   Fr= 1--      30.068                 31.341                 -8.716
 Raman2 Fr= 1--      18.949                 18.710                 15.240
 ROA2   Fr= 1--     338.685                337.244                -81.492
 CID2   Fr= 1--      17.873                 18.024                 -5.347
 Raman3 Fr= 1--      37.899                 37.421                 30.481
 ROA3   Fr= 1--    1409.197               1370.837               -309.953
 CID3   Fr= 1--      37.183                 36.633                -10.169
 RC180  Fr= 1--       0.617                  0.711                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     2   6    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
     3   7    -0.03   0.01  -0.02     0.00  -0.00   0.00    -0.03   0.01  -0.02
     4  45    -0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
     5   7     0.00  -0.00   0.00    -0.03   0.00  -0.02    -0.02   0.00  -0.01
     6   7     0.01  -0.02  -0.02    -0.00   0.01   0.01    -0.00   0.00   0.00
     7   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
     8   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
     9   7    -0.00   0.01   0.01    -0.01   0.02   0.02     0.00  -0.00  -0.00
    10   7    -0.01  -0.01   0.01     0.02   0.02  -0.02     0.01   0.01  -0.01
    11   6    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    12   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    13   7    -0.01  -0.02   0.02    -0.01  -0.01   0.01     0.02   0.02  -0.02
    14   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    15   1     0.00  -0.00   0.00     0.00  -0.01   0.00    -0.00   0.00  -0.00
    16   1     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    17   1    -0.00   0.01  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    18   1    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    19   1     0.00   0.00   0.00    -0.01  -0.00  -0.00    -0.00  -0.00  -0.00
    20   1     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.01  -0.00   0.00
    21   1     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.01  -0.00
    22   1     0.00   0.00   0.00     0.00   0.00   0.00     0.01   0.00   0.00
    23   1     0.01  -0.00  -0.00    -0.00   0.00   0.00     0.01  -0.00  -0.00
    24   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    25   1    -0.00   0.00   0.00     0.01  -0.00  -0.00     0.00  -0.00  -0.00
    26   1    -0.05   0.02   0.01     0.41  -0.13  -0.08     0.26  -0.08  -0.05
    27   1     0.01  -0.01  -0.04    -0.05   0.07   0.37    -0.03   0.04   0.23
    28   1     0.46  -0.04  -0.09    -0.06   0.01   0.01     0.48  -0.04  -0.09
    29   1    -0.08  -0.05   0.41     0.01   0.01  -0.05    -0.08  -0.05   0.41
    30   1     0.24   0.22   0.06     0.21   0.19   0.05    -0.35  -0.32  -0.09
    31   1    -0.06  -0.01  -0.28    -0.05  -0.01  -0.25     0.09   0.01   0.40
    32   1     0.10   0.14   0.03    -0.22  -0.32  -0.07    -0.08  -0.11  -0.03
    33   1     0.00  -0.03  -0.15    -0.00   0.07   0.34    -0.00   0.02   0.11
    34   1    -0.08   0.35  -0.07     0.03  -0.15   0.03     0.01  -0.07   0.01
    35   1    -0.03  -0.06   0.31     0.01   0.03  -0.13     0.01   0.01  -0.07
    36   1     0.10  -0.22   0.05     0.14  -0.29   0.06    -0.02   0.05  -0.01
    37   1    -0.04   0.02  -0.22    -0.05   0.03  -0.28     0.01  -0.00   0.03
                     97                     98                     99
                      A                      A                      A
 Frequencies --   3433.3452              3433.4408              3435.2884
 Red. masses --      1.0530                 1.0528                 1.0527
 Frc consts  --      7.3130                 7.3126                 7.3198
 IR Inten    --     16.8195                53.0647                 0.1413
 RamAct Fr= 1--     17.7086                11.8888               487.6336
  Dep-P Fr= 1--      0.7428                 0.7164                 0.0033
  Dep-U Fr= 1--      0.8524                 0.8348                 0.0066
 Alpha2 Fr= 1--      0.0022                 0.0069                10.7528
 Beta2  Fr= 1--      2.5159                 1.6541                 0.5371
 AlphaG Fr= 1--      0.0003                 0.0023                 2.7969
 Gamma2 Fr= 1--     -6.9903                -4.8708               -14.0313
 Delta2 Fr= 1--      0.1778                -0.0607                -1.2950
 Raman1 Fr= 1--      70.834                 47.555               1950.534
 ROA1   Fr= 1--    -665.374               -469.540              -1388.447
 CID1   Fr= 1--      -9.393                 -9.874                 -0.712
 Raman2 Fr= 1--      30.191                 19.849                  6.445
 ROA2   Fr= 1--    -169.189               -116.413               -326.392
 CID2   Fr= 1--      -5.604                 -5.865                -50.642
 Raman3 Fr= 1--      60.382                 39.698                 12.890
 ROA3   Fr= 1--    -665.374               -469.540              -1388.447
 CID3   Fr= 1--     -11.019                -11.828               -107.714
 RC180  Fr= 1--       0.705                  0.670                 -0.987
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     2   6     0.00   0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
     3   7    -0.00   0.00  -0.00     0.01  -0.00   0.01     0.02  -0.00   0.01
     4  45     0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
     5   7    -0.03   0.00  -0.02     0.00  -0.00   0.00    -0.02   0.00  -0.01
     6   7     0.00  -0.00  -0.00     0.01  -0.03  -0.03     0.01  -0.02  -0.01
     7   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     8   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     9   7     0.01  -0.03  -0.02     0.00  -0.01  -0.01    -0.01   0.02   0.02
    10   7    -0.01  -0.01   0.01     0.02   0.02  -0.02    -0.01  -0.01   0.01
    11   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    12   6    -0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
    13   7    -0.01  -0.01   0.01     0.00   0.00  -0.00     0.01   0.01  -0.01
    14   1    -0.01   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    15   1    -0.00   0.01  -0.00    -0.00   0.00  -0.00     0.00  -0.01   0.00
    16   1     0.00   0.00   0.00     0.00   0.01   0.00     0.00   0.00   0.00
    17   1     0.00  -0.00   0.00    -0.00   0.01  -0.00    -0.00   0.00  -0.00
    18   1    -0.00   0.00  -0.00     0.00  -0.01   0.00     0.00   0.00  -0.00
    19   1     0.00   0.00   0.00    -0.01  -0.01  -0.00     0.00   0.00   0.00
    20   1     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    21   1     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    22   1     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    23   1    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    24   1     0.00  -0.01   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    25   1     0.01  -0.00  -0.00    -0.00  -0.00  -0.00     0.01  -0.00  -0.00
    26   1     0.43  -0.14  -0.08    -0.01   0.00   0.00     0.29  -0.09  -0.06
    27   1    -0.05   0.07   0.38     0.00  -0.00  -0.02    -0.03   0.04   0.25
    28   1     0.01  -0.00  -0.00    -0.10   0.01   0.02    -0.29   0.02   0.05
    29   1    -0.00  -0.00   0.01     0.02   0.01  -0.10     0.04   0.03  -0.24
    30   1     0.17   0.16   0.04    -0.05  -0.04  -0.01    -0.22  -0.20  -0.06
    31   1    -0.04  -0.00  -0.21     0.01   0.00   0.04     0.05   0.01   0.24
    32   1     0.14   0.20   0.05    -0.25  -0.36  -0.08     0.18   0.26   0.06
    33   1     0.00  -0.05  -0.22    -0.00   0.08   0.37     0.00  -0.06  -0.26
    34   1    -0.01   0.05  -0.01    -0.12   0.54  -0.10    -0.07   0.30  -0.06
    35   1    -0.00  -0.01   0.04    -0.04  -0.09   0.46    -0.02  -0.05   0.25
    36   1    -0.20   0.43  -0.09    -0.09   0.20  -0.04     0.14  -0.30   0.06
    37   1     0.08  -0.04   0.41     0.04  -0.02   0.18    -0.05   0.03  -0.27
                    100                    101                    102
                      A                      A                      A
 Frequencies --   3480.5121              3480.6768              3481.2609
 Red. masses --      1.0928                 1.0928                 1.0928
 Frc consts  --      7.8000                 7.8001                 7.8028
 IR Inten    --      5.8664                11.4175                17.3769
 RamAct Fr= 1--      4.7126                 2.1204                12.8201
  Dep-P Fr= 1--      0.7492                 0.7497                 0.7486
  Dep-U Fr= 1--      0.8566                 0.8569                 0.8562
 Alpha2 Fr= 1--      0.0001                 0.0000                 0.0003
 Beta2  Fr= 1--      0.6728                 0.3028                 1.8295
 AlphaG Fr= 1--     -0.0004                -0.0000                -0.0021
 Gamma2 Fr= 1--     -9.4340                -5.4117                -1.0319
 Delta2 Fr= 1--      0.5707                -0.3747                13.9142
 Raman1 Fr= 1--      18.850                  8.482                 51.280
 ROA1   Fr= 1--    -887.397               -531.514                346.188
 CID1   Fr= 1--     -47.076                -62.667                  6.751
 Raman2 Fr= 1--       8.074                  3.634                 21.953
 ROA2   Fr= 1--    -230.980               -126.883               -136.079
 CID2   Fr= 1--     -28.610                -34.915                 -6.199
 Raman3 Fr= 1--      16.147                  7.268                 43.907
 ROA3   Fr= 1--    -887.397               -531.514                346.188
 CID3   Fr= 1--     -54.957                -73.130                  7.885
 RC180  Fr= 1--       0.713                  0.714                  0.712
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     2   6     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     3   7     0.03   0.00  -0.04    -0.02  -0.00   0.02    -0.03  -0.00   0.03
     4  45    -0.00   0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
     5   7    -0.02   0.01   0.02    -0.02   0.01   0.03    -0.01   0.01   0.02
     6   7     0.00  -0.01   0.01    -0.00   0.02  -0.03     0.00  -0.02   0.02
     7   6     0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     8   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     9   7     0.01  -0.02   0.03     0.01  -0.01   0.02    -0.01   0.02  -0.02
    10   7     0.00   0.00   0.01    -0.01  -0.03  -0.03     0.00   0.00   0.00
    11   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    12   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    13   7    -0.02  -0.02  -0.03     0.00   0.00   0.00    -0.03  -0.02  -0.04
    14   1    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    15   1    -0.00   0.01  -0.00    -0.00   0.01  -0.00     0.00  -0.01   0.00
    16   1    -0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    17   1    -0.00   0.00  -0.00     0.00  -0.01   0.00    -0.00   0.00  -0.00
    18   1     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    19   1    -0.00  -0.00  -0.00     0.01   0.01   0.01     0.00   0.00   0.00
    20   1     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
    21   1     0.01   0.01   0.01    -0.00  -0.00  -0.00     0.01   0.01   0.01
    22   1    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
    23   1    -0.01   0.00   0.01     0.01  -0.00  -0.00     0.01  -0.00  -0.01
    24   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    25   1     0.01  -0.00  -0.00     0.01  -0.00  -0.01     0.01  -0.00  -0.00
    26   1     0.23  -0.07  -0.03     0.31  -0.10  -0.05     0.19  -0.06  -0.03
    27   1     0.02  -0.04  -0.28     0.03  -0.06  -0.38     0.02  -0.03  -0.22
    28   1    -0.40   0.03   0.06     0.20  -0.02  -0.03     0.32  -0.03  -0.05
    29   1    -0.06  -0.05   0.45     0.03   0.03  -0.23     0.05   0.04  -0.36
    30   1     0.25   0.23   0.05    -0.02  -0.02  -0.00     0.31   0.28   0.06
    31   1     0.07  -0.00   0.39    -0.01   0.00  -0.03     0.08  -0.00   0.47
    32   1    -0.03  -0.05  -0.01     0.21   0.30   0.05    -0.01  -0.01  -0.00
    33   1     0.00  -0.01  -0.07    -0.01   0.07   0.42     0.00  -0.00  -0.01
    34   1    -0.02   0.08  -0.01     0.06  -0.29   0.04    -0.04   0.18  -0.03
    35   1     0.01   0.01  -0.10    -0.03  -0.05   0.34     0.02   0.03  -0.22
    36   1    -0.12   0.26  -0.04    -0.09   0.19  -0.03     0.12  -0.25   0.04
    37   1    -0.05   0.02  -0.32    -0.04   0.01  -0.24     0.05  -0.02   0.30
                    103                    104                    105
                      A                      A                      A
 Frequencies --   3481.4209              3482.6859              3483.3025
 Red. masses --      1.0927                 1.0926                 1.0920
 Frc consts  --      7.8030                 7.8077                 7.8068
 IR Inten    --     22.6433               144.8284                 0.2839
 RamAct Fr= 1--     10.3066                 0.2693               148.9200
  Dep-P Fr= 1--      0.7497                 0.6177                 0.6976
  Dep-U Fr= 1--      0.8569                 0.7637                 0.8219
 Alpha2 Fr= 1--      0.0001                 0.0007                 0.1361
 Beta2  Fr= 1--      1.4720                 0.0343                20.3990
 AlphaG Fr= 1--     -0.0008                -0.0016                -0.7225
 Gamma2 Fr= 1--      2.6647                 0.0558                25.4338
 Delta2 Fr= 1--     13.0263                -0.0333               -34.1754
 Raman1 Fr= 1--      41.226                  1.077                595.680
 ROA1   Fr= 1--     672.658                  4.287               1348.030
 CID1   Fr= 1--      16.316                  3.980                  2.263
 Raman2 Fr= 1--      17.664                  0.411                244.788
 ROA2   Fr= 1--     -40.257                  1.605                883.814
 CID2   Fr= 1--      -2.279                  3.903                  3.611
 Raman3 Fr= 1--      35.328                  0.823                489.577
 ROA3   Fr= 1--     672.658                  4.287               1348.030
 CID3   Fr= 1--      19.040                  5.212                  2.753
 RC180  Fr= 1--       0.714                  0.527                  0.644
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     2   6    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     3   7    -0.01  -0.00   0.01     0.02   0.00  -0.02     0.02   0.00  -0.02
     4  45    -0.00   0.00   0.00     0.00  -0.00   0.00     0.00   0.00   0.00
     5   7     0.02  -0.01  -0.03     0.02  -0.01  -0.02    -0.02   0.01   0.02
     6   7     0.00  -0.03   0.03    -0.00   0.02  -0.03     0.00  -0.02   0.03
     7   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     8   6     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     9   7     0.01  -0.02   0.02    -0.01   0.02  -0.03    -0.01   0.02  -0.03
    10   7    -0.01  -0.03  -0.03    -0.01  -0.02  -0.03    -0.01  -0.02  -0.03
    11   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    12   6    -0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    13   7    -0.01  -0.00  -0.01    -0.02  -0.01  -0.03     0.02   0.01   0.02
    14   1    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    15   1    -0.00   0.01  -0.00     0.00  -0.01   0.00     0.00  -0.01   0.00
    16   1     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    17   1    -0.00   0.01  -0.01     0.00  -0.01   0.01    -0.00   0.01  -0.00
    18   1    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
    19   1     0.01   0.01   0.01     0.01   0.00   0.00     0.01   0.01   0.00
    20   1     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
    21   1     0.00   0.00   0.00     0.00   0.01   0.00    -0.00  -0.00  -0.00
    22   1     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    23   1     0.00  -0.00  -0.00    -0.01   0.00   0.00    -0.01   0.00   0.00
    24   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    25   1    -0.01   0.00   0.00    -0.01   0.00   0.00     0.01  -0.00  -0.00
    26   1    -0.30   0.10   0.04    -0.22   0.07   0.03     0.22  -0.07  -0.03
    27   1    -0.03   0.05   0.36    -0.02   0.05   0.29     0.02  -0.04  -0.28
    28   1     0.10  -0.01  -0.01    -0.22   0.02   0.03    -0.23   0.02   0.03
    29   1     0.01   0.01  -0.11    -0.04  -0.03   0.26    -0.04  -0.03   0.28
    30   1     0.07   0.07   0.01     0.19   0.17   0.03    -0.17  -0.15  -0.03
    31   1     0.02  -0.00   0.11     0.05  -0.00   0.31    -0.05   0.00  -0.28
    32   1     0.20   0.29   0.05     0.15   0.21   0.04     0.16   0.23   0.04
    33   1    -0.01   0.07   0.40    -0.01   0.05   0.31    -0.01   0.06   0.34
    34   1    -0.07   0.33  -0.05     0.06  -0.29   0.04    -0.06   0.26  -0.04
    35   1     0.04   0.06  -0.38    -0.03  -0.05   0.37     0.03   0.05  -0.33
    36   1    -0.11   0.24  -0.04     0.11  -0.24   0.04     0.12  -0.25   0.04
    37   1    -0.05   0.02  -0.30     0.05  -0.02   0.31     0.05  -0.02   0.34

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  7 and mass  14.00307
 Atom     4 has atomic number 45 and mass 102.90480
 Atom     5 has atomic number  7 and mass  14.00307
 Atom     6 has atomic number  7 and mass  14.00307
 Atom     7 has atomic number  6 and mass  12.00000
 Atom     8 has atomic number  6 and mass  12.00000
 Atom     9 has atomic number  7 and mass  14.00307
 Atom    10 has atomic number  7 and mass  14.00307
 Atom    11 has atomic number  6 and mass  12.00000
 Atom    12 has atomic number  6 and mass  12.00000
 Atom    13 has atomic number  7 and mass  14.00307
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Atom    20 has atomic number  1 and mass   1.00783
 Atom    21 has atomic number  1 and mass   1.00783
 Atom    22 has atomic number  1 and mass   1.00783
 Atom    23 has atomic number  1 and mass   1.00783
 Atom    24 has atomic number  1 and mass   1.00783
 Atom    25 has atomic number  1 and mass   1.00783
 Atom    26 has atomic number  1 and mass   1.00783
 Atom    27 has atomic number  1 and mass   1.00783
 Atom    28 has atomic number  1 and mass   1.00783
 Atom    29 has atomic number  1 and mass   1.00783
 Atom    30 has atomic number  1 and mass   1.00783
 Atom    31 has atomic number  1 and mass   1.00783
 Atom    32 has atomic number  1 and mass   1.00783
 Atom    33 has atomic number  1 and mass   1.00783
 Atom    34 has atomic number  1 and mass   1.00783
 Atom    35 has atomic number  1 and mass   1.00783
 Atom    36 has atomic number  1 and mass   1.00783
 Atom    37 has atomic number  1 and mass   1.00783
 Molecular mass:   283.11104 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --  2615.131202615.504363783.53931
           X            0.99999   0.00483  -0.00000
           Y           -0.00483   0.99999  -0.00000
           Z            0.00000   0.00000   1.00000
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.03312     0.03312     0.02289
 Rotational constants (GHZ):           0.69011     0.69002     0.47700
 Zero-point vibrational energy     925907.1 (Joules/Mol)
                                  221.29712 (Kcal/Mol)
 Warning -- explicit consideration of  24 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:    114.10   118.20   128.94   209.26   210.18
          (Kelvin)            240.74   313.12   316.45   324.91   362.40
                              416.54   417.44   448.76   477.78   478.85
                              578.84   579.97   580.63   664.81   665.82
                              727.66   752.77   803.41   804.57   972.86
                              973.22  1027.22  1079.69  1079.91  1097.59
                             1245.36  1245.43  1248.00  1252.85  1255.61
                             1255.78  1413.26  1414.68  1414.99  1434.21
                             1434.86  1452.72  1507.14  1507.27  1511.86
                             1594.83  1608.13  1609.00  1685.92  1686.46
                             1716.53  1763.58  1764.16  1794.26  1857.63
                             1857.67  1864.70  1916.23  1916.56  1930.01
                             1936.97  1940.13  1940.20  2020.80  2022.24
                             2022.50  2076.36  2076.80  2081.31  2162.01
                             2162.37  2162.52  2162.94  2163.31  2163.86
                             2365.02  2384.34  2385.20  2387.58  2399.19
                             2400.00  4418.49  4418.67  4419.34  4425.72
                             4425.95  4426.36  4484.18  4484.30  4484.63
                             4499.43  4499.56  4499.95  4937.76  4937.92
                             4939.60  4939.82  4939.96  4942.61  5007.68
                             5007.92  5008.76  5008.99  5010.81  5011.70
 
 Zero-point correction=                           0.352659 (Hartree/Particle)
 Thermal correction to Energy=                    0.367690
 Thermal correction to Enthalpy=                  0.368634
 Thermal correction to Gibbs Free Energy=         0.312034
 Sum of electronic and zero-point Energies=           -681.282277
 Sum of electronic and thermal Energies=              -681.267247
 Sum of electronic and thermal Enthalpies=            -681.266303
 Sum of electronic and thermal Free Energies=         -681.322903
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  230.729             60.543            119.125
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             42.820
 Rotational               0.889              2.981             31.626
 Vibrational            228.951             54.582             44.679
 Vibration     1          0.600              1.963              3.908
 Vibration     2          0.600              1.961              3.839
 Vibration     3          0.602              1.957              3.668
 Vibration     4          0.617              1.908              2.731
 Vibration     5          0.617              1.907              2.723
 Vibration     6          0.624              1.883              2.465
 Vibration     7          0.646              1.814              1.979
 Vibration     8          0.647              1.811              1.960
 Vibration     9          0.650              1.802              1.912
 Vibration    10          0.664              1.760              1.717
 Vibration    11          0.686              1.693              1.477
 Vibration    12          0.686              1.692              1.473
 Vibration    13          0.700              1.651              1.352
 Vibration    14          0.714              1.611              1.250
 Vibration    15          0.715              1.610              1.246
 Vibration    16          0.768              1.465              0.954
 Vibration    17          0.768              1.463              0.951
 Vibration    18          0.769              1.462              0.950
 Vibration    19          0.820              1.334              0.760
 Vibration    20          0.820              1.333              0.758
 Vibration    21          0.861              1.237              0.644
 Vibration    22          0.878              1.199              0.603
 Vibration    23          0.914              1.121              0.527
 Vibration    24          0.915              1.120              0.525
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.298277-143       -143.525381       -330.479402
 Total V=0       0.485893D+19         18.686540         43.027349
 Vib (Bot)       0.874804-158       -158.058089       -363.942200
 Vib (Bot)    1  0.259709D+01          0.414487          0.954391
 Vib (Bot)    2  0.250608D+01          0.398995          0.918721
 Vib (Bot)    3  0.229433D+01          0.360656          0.830441
 Vib (Bot)    4  0.139595D+01          0.144871          0.333577
 Vib (Bot)    5  0.138956D+01          0.142877          0.328988
 Vib (Bot)    6  0.120546D+01          0.081151          0.186857
 Vib (Bot)    7  0.909797D+00         -0.041056         -0.094534
 Vib (Bot)    8  0.899361D+00         -0.046066         -0.106071
 Vib (Bot)    9  0.873766D+00         -0.058605         -0.134943
 Vib (Bot)   10  0.774156D+00         -0.111172         -0.255982
 Vib (Bot)   11  0.660713D+00         -0.179987         -0.414435
 Vib (Bot)   12  0.659060D+00         -0.181075         -0.416941
 Vib (Bot)   13  0.605579D+00         -0.217829         -0.501570
 Vib (Bot)   14  0.561943D+00         -0.250308         -0.576356
 Vib (Bot)   15  0.560430D+00         -0.251479         -0.579051
 Vib (Bot)   16  0.442279D+00         -0.354303         -0.815814
 Vib (Bot)   17  0.441159D+00         -0.355405         -0.818349
 Vib (Bot)   18  0.440512D+00         -0.356042         -0.819817
 Vib (Bot)   19  0.367474D+00         -0.434773         -1.001102
 Vib (Bot)   20  0.366702D+00         -0.435687         -1.003207
 Vib (Bot)   21  0.323308D+00         -0.490384         -1.129150
 Vib (Bot)   22  0.307608D+00         -0.512003         -1.178930
 Vib (Bot)   23  0.278770D+00         -0.554754         -1.277369
 Vib (Bot)   24  0.278152D+00         -0.555717         -1.279586
 Vib (V=0)       0.142506D+05          4.153832          9.564552
 Vib (V=0)    1  0.314478D+01          0.497590          1.145744
 Vib (V=0)    2  0.305548D+01          0.485079          1.116935
 Vib (V=0)    3  0.284818D+01          0.454567          1.046680
 Vib (V=0)    4  0.198280D+01          0.297278          0.684508
 Vib (V=0)    5  0.197678D+01          0.295958          0.681469
 Vib (V=0)    6  0.180504D+01          0.256486          0.590581
 Vib (V=0)    7  0.153814D+01          0.186995          0.430572
 Vib (V=0)    8  0.152900D+01          0.184409          0.424617
 Vib (V=0)    9  0.150671D+01          0.178030          0.409929
 Vib (V=0)   10  0.142158D+01          0.152773          0.351772
 Vib (V=0)   11  0.132858D+01          0.123387          0.284109
 Vib (V=0)   12  0.132726D+01          0.122956          0.283117
 Vib (V=0)   13  0.128532D+01          0.109011          0.251007
 Vib (V=0)   14  0.125218D+01          0.097668          0.224889
 Vib (V=0)   15  0.125105D+01          0.097276          0.223986
 Vib (V=0)   16  0.116754D+01          0.067272          0.154900
 Vib (V=0)   17  0.116680D+01          0.066996          0.154264
 Vib (V=0)   18  0.116637D+01          0.066837          0.153898
 Vib (V=0)   19  0.112051D+01          0.049417          0.113787
 Vib (V=0)   20  0.112006D+01          0.049240          0.113379
 Vib (V=0)   21  0.109542D+01          0.039582          0.091140
 Vib (V=0)   22  0.108705D+01          0.036248          0.083463
 Vib (V=0)   23  0.107246D+01          0.030382          0.069957
 Vib (V=0)   24  0.107216D+01          0.030260          0.069677
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.187236D+09          8.272389         19.047880
 Rotational      0.182104D+07          6.260319         14.414918
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000006233    0.000003792    0.000013588
      2        6           0.000003663   -0.000022719    0.000009299
      3        7           0.000016343   -0.000009128    0.000049379
      4       45           0.000039110   -0.000051583   -0.000155007
      5        7           0.000040785   -0.000006110    0.000005553
      6        7           0.000004408    0.000051506    0.000029114
      7        6           0.000003792    0.000000458    0.000019055
      8        6          -0.000007472    0.000016456   -0.000001446
      9        7          -0.000023816    0.000059023    0.000043525
     10        7          -0.000003878   -0.000037462    0.000058952
     11        6          -0.000027452   -0.000006994    0.000040184
     12        6          -0.000019286   -0.000022559    0.000041811
     13        7           0.000004558   -0.000033502   -0.000013665
     14        1          -0.000000986   -0.000000830   -0.000001116
     15        1          -0.000024741    0.000020333   -0.000000892
     16        1           0.000000146   -0.000002592   -0.000000369
     17        1          -0.000018254   -0.000012697   -0.000008347
     18        1           0.000001830    0.000002303    0.000003182
     19        1          -0.000011340   -0.000020433   -0.000006881
     20        1           0.000000357    0.000001881    0.000002761
     21        1           0.000023155    0.000011700    0.000010013
     22        1          -0.000003201    0.000002074   -0.000005230
     23        1          -0.000000702   -0.000007617   -0.000018032
     24        1          -0.000001547   -0.000001040   -0.000004740
     25        1           0.000002588    0.000020177   -0.000002535
     26        1           0.000026413   -0.000010103   -0.000020290
     27        1           0.000002919   -0.000003638   -0.000010193
     28        1          -0.000023652   -0.000015070   -0.000019364
     29        1          -0.000005767    0.000006730   -0.000015040
     30        1          -0.000001896    0.000002553   -0.000010133
     31        1           0.000001823   -0.000023410    0.000004615
     32        1          -0.000015722    0.000029103   -0.000023818
     33        1           0.000003312   -0.000000904    0.000007734
     34        1          -0.000004599   -0.000001203    0.000008627
     35        1          -0.000001175    0.000026598   -0.000005987
     36        1           0.000008166    0.000046545   -0.000024386
     37        1           0.000005884   -0.000011638    0.000000077
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000155007 RMS     0.000024744
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.155699D+03 -0.260177D-02 -0.279290D-03
      2  -0.260177D-02  0.155695D+03 -0.299364D-02
      3  -0.279290D-03 -0.299364D-02  0.128198D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.288391D+01  0.413396D-01 -0.300405D-02
      2  -0.149786D-01 -0.286739D+01  0.260993D-02
      3  -0.115371D-01 -0.116892D-01 -0.108108D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.608791D+02  0.910513D+02  0.954561D-02
      2  -0.608949D+02 -0.910491D+02 -0.173309D-01
      3   0.157808D-01 -0.213340D-02  0.778525D-02
      4   0.910327D+02 -0.609211D+02  0.254592D-02
      5  -0.156170D-01  0.572977D+01  0.432275D-02
      6  -0.572498D+01 -0.373515D-01 -0.130910D-01
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=   111 ND12= 1 LenFil=    3999:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.286317D+01 -0.101070D+01 -0.266450D+01 -0.126334D+01 -0.297799D+01
      2  -0.101070D+01 -0.499046D+01  0.111953D+01 -0.297799D+01  0.736643D+01
      3  -0.266450D+01  0.111953D+01  0.821938D+00  0.375026D+00 -0.393245D+01
                 6             7             8             9            10 
      1   0.375026D+00 -0.195675D+01  0.688946D+00  0.996544D+00 -0.143376D+01
      2  -0.393245D+01  0.688946D+00 -0.269758D+01  0.937799D+00  0.388036D+01
      3   0.707037D+00  0.996544D+00  0.937799D+00  0.565657D+00  0.338163D+01
                11            12            13            14            15 
      1   0.388036D+01  0.338163D+01  0.287180D+01  0.397587D+01  0.609135D+00
      2   0.573346D+01  0.135229D+01  0.397587D+01  0.193538D+01  0.321863D+01
      3   0.135229D+01 -0.484488D+00  0.609135D+00  0.321863D+01  0.973748D+00
                16            17            18            19            20 
      1   0.255606D+01  0.752751D+00 -0.559240D+00  0.104244D+01 -0.218003D+01
      2   0.752751D+00  0.210411D+01  0.125416D+01 -0.218003D+01 -0.260870D+01
      3  -0.559240D+00  0.125416D+01 -0.565542D+00 -0.182379D+01 -0.829627D+00
                21            22            23            24            25 
      1  -0.182379D+01 -0.366023D+01 -0.542113D+01 -0.219140D+01 -0.234326D+01
      2  -0.829627D+00 -0.542113D+01 -0.638561D+01 -0.463424D+01 -0.140333D+01
      3  -0.105638D+01 -0.219140D+01 -0.463424D+01 -0.202776D+01 -0.144936D+01
                26            27            28            29            30 
      1  -0.140333D+01 -0.144936D+01 -0.127005D+01 -0.186740D+01 -0.464553D-02
      2  -0.275439D+01 -0.177653D+01 -0.186740D+01  0.124139D+01 -0.188871D+01
      3  -0.177653D+01  0.182051D+01 -0.464553D-02 -0.188871D+01 -0.337867D-02
                31            32            33            34            35 
      1  -0.188631D+01  0.126867D+01  0.190064D+01  0.175798D-01 -0.663125D-02
      2   0.126867D+01  0.189569D+01 -0.116970D-01 -0.663125D-02  0.157384D-01
      3   0.190064D+01 -0.116970D-01  0.279849D-02 -0.606083D-03  0.280260D-04
                36            37            38            39            40 
      1  -0.606083D-03 -0.198144D+01  0.867581D+00  0.116672D+01  0.580692D+00
      2   0.280260D-04  0.867581D+00 -0.425889D+00  0.607042D+00  0.273965D+01
      3   0.399961D-02  0.116672D+01  0.607042D+00  0.198120D+00 -0.754171D+00
                41            42            43            44            45 
      1   0.273965D+01 -0.754171D+00  0.140950D+01 -0.847366D+00  0.659884D+00
      2  -0.104520D+02  0.529325D+01 -0.847366D+00  0.367471D+01 -0.219691D+01
      3   0.529325D+01 -0.227415D+01  0.659884D+00 -0.219691D+01 -0.182402D+01
                46            47            48            49            50 
      1   0.464242D+01  0.519386D+01  0.419678D+01  0.261626D+01  0.328625D+01
      2   0.519386D+01  0.511846D+01  0.250096D+01  0.328625D+01  0.246418D+00
      3   0.419678D+01  0.250096D+01  0.187117D+01  0.114410D+01  0.225778D+01
                51            52            53            54            55 
      1   0.114410D+01  0.238773D+01  0.140592D+01  0.157667D+01 -0.319981D+00
      2   0.225778D+01  0.140592D+01  0.271272D+01  0.167654D+01 -0.306927D+01
      3   0.131833D+01  0.157667D+01  0.167654D+01 -0.181851D+01 -0.296533D+01
                56            57            58            59            60 
      1  -0.306927D+01 -0.296533D+01 -0.468824D+01 -0.512138D+01 -0.129744D+01
      2  -0.389128D+01 -0.549792D+00 -0.512138D+01 -0.199471D+00 -0.362903D+01
      3  -0.549792D+00 -0.102350D+01 -0.129744D+01 -0.362903D+01  0.352400D+00
                61            62            63            64            65 
      1  -0.191332D+01 -0.666374D+00 -0.131402D+01 -0.851080D+01  0.148805D+01
      2  -0.666374D+00 -0.273976D+01  0.390190D+00  0.148805D+01  0.219512D+01
      3  -0.131402D+01  0.390190D+00  0.566633D+00  0.410672D+01 -0.187346D+00
                66            67            68            69            70 
      1   0.410672D+01  0.352242D+01  0.220521D+01 -0.933983D+00  0.286518D+01
      2  -0.187346D+00  0.220521D+01 -0.219804D+01  0.249038D+01 -0.572570D+00
      3  -0.600677D+00 -0.933983D+00  0.249038D+01 -0.903102D+00 -0.805244D+00
                71            72            73            74            75 
      1  -0.572570D+00 -0.805244D+00  0.108084D+02 -0.107740D+01 -0.524547D+01
      2   0.179095D+01 -0.111040D+01 -0.107740D+01 -0.131278D+01  0.214534D+00
      3  -0.111040D+01 -0.567833D+00 -0.524547D+01  0.214534D+00  0.228851D+01
                76            77            78            79            80 
      1   0.208328D+01 -0.119413D+01 -0.114124D+01 -0.386309D+01  0.526551D+00
      2  -0.119413D+01  0.156178D+01 -0.121473D+01  0.526551D+00 -0.122846D+01
      3  -0.114124D+01 -0.121473D+01  0.918335D-01  0.226793D+01 -0.368501D+00
                81            82            83            84            85 
      1   0.226793D+01 -0.960530D+00  0.203362D+01 -0.262407D+01  0.354034D+00
      2  -0.368501D+00  0.203362D+01 -0.694476D+01  0.264952D+01 -0.426816D+01
      3   0.182323D+01 -0.262407D+01  0.264952D+01 -0.122973D+01  0.129300D+01
                86            87            88            89            90 
      1  -0.426816D+01  0.129300D+01 -0.144416D+01  0.878763D+00 -0.819277D+00
      2   0.605086D+01 -0.383934D+01  0.878763D+00 -0.367578D+01  0.214147D+01
      3  -0.383934D+01  0.192682D+01 -0.819277D+00  0.214147D+01  0.182435D+01
                91            92            93            94            95 
      1  -0.138731D+01  0.114033D+01  0.240984D+01  0.124941D+00  0.516566D+01
      2   0.114033D+01  0.341669D+01 -0.499420D-01  0.516566D+01 -0.626041D+01
      3   0.240984D+01 -0.499420D-01  0.109131D+01 -0.792723D+00  0.419027D+01
                96            97            98            99           100 
      1  -0.792723D+00  0.156192D+01 -0.176449D+00  0.136674D+01  0.781572D+01
      2   0.419027D+01 -0.176449D+00  0.309192D+01 -0.136589D+00 -0.388950D+01
      3  -0.636497D-01  0.136674D+01 -0.136589D+00 -0.571475D+00 -0.426191D+01
               101           102           103           104           105 
      1  -0.388950D+01 -0.426191D+01 -0.201919D+01 -0.226153D+01 -0.201449D+00
      2  -0.147995D+01  0.546587D+00 -0.226153D+01  0.813182D+00 -0.232870D+01
      3   0.546587D+00  0.202655D+00 -0.201449D+00 -0.232870D+01 -0.106559D+01
               106           107           108           109           110 
      1  -0.310854D+01 -0.282632D-01  0.318437D+00 -0.793843D+01  0.349939D+01
      2  -0.282632D-01 -0.153956D+01 -0.133639D+01  0.349939D+01  0.596209D+00
      3   0.318437D+00 -0.133639D+01  0.568895D+00  0.432497D+01 -0.107358D+01
               111           112           113           114           115 
      1   0.432497D+01  0.638366D+01 -0.743434D+00 -0.243064D+01  0.382988D+01
      2  -0.107358D+01 -0.743434D+00  0.629997D+00  0.213375D+01 -0.551721D+00
      3  -0.207380D+01 -0.243064D+01  0.213375D+01  0.961423D+00 -0.223835D+01
               116           117           118           119           120 
      1  -0.551721D+00 -0.223835D+01  0.118993D+02  0.176436D+00 -0.324581D+01
      2   0.123062D+01  0.525832D+00  0.176436D+00  0.976048D+00  0.379418D-02
      3   0.525832D+00 -0.182562D+01 -0.324581D+01  0.379418D-02  0.211837D+01
               121           122           123           124           125 
      1  -0.243824D+01  0.114648D+01  0.907516D+00 -0.327979D+01 -0.227457D-01
      2   0.114648D+01  0.152497D+00 -0.747157D+00 -0.227457D-01 -0.470794D+00
      3   0.907516D+00 -0.747157D+00 -0.258878D+00  0.260596D+01  0.202593D+00
               126           127           128           129           130 
      1   0.260596D+01  0.216632D+00  0.638821D+00 -0.923576D+00  0.112900D+01
      2   0.202593D+00  0.638821D+00 -0.705441D+00  0.246865D+00  0.503843D+00
      3  -0.154977D+01 -0.923576D+00  0.246865D+00 -0.343050D+00 -0.197070D+00
               131           132           133           134           135 
      1   0.503843D+00 -0.197070D+00 -0.135269D+01 -0.383946D+00  0.449443D+00
      2   0.474935D+01 -0.225242D+01 -0.383946D+00 -0.183688D+01  0.172120D+01
      3  -0.225242D+01  0.232282D+01  0.449443D+00  0.172120D+01 -0.222138D+01
               136           137           138           139           140 
      1   0.613803D+01  0.320582D+01  0.187836D+01  0.517843D+01  0.441134D+01
      2   0.320582D+01  0.268383D+01  0.872110D+00  0.441134D+01  0.447355D+01
      3   0.187836D+01  0.872110D+00  0.152213D+01  0.177595D+01  0.211185D+01
               141           142           143           144           145 
      1   0.177595D+01  0.225973D+01  0.134918D+01  0.218942D+01  0.220624D+01
      2   0.211185D+01  0.134918D+01  0.148775D+01  0.142448D+01 -0.920175D+00
      3   0.149415D+01  0.218942D+01  0.142448D+01  0.154884D+01  0.139481D+01
               146           147           148           149           150 
      1  -0.920175D+00  0.139481D+01 -0.204841D+01  0.166216D+01 -0.857121D+00
      2   0.100572D+01 -0.412547D+00  0.166216D+01 -0.291346D+01  0.178413D+01
      3  -0.412547D+00  0.114509D+01 -0.857121D+00  0.178413D+01 -0.205050D+01
               151           152           153           154           155 
      1   0.190668D+01 -0.333324D+00  0.140493D+01 -0.236562D+01  0.193923D+01
      2  -0.333324D+00  0.128759D+01 -0.109194D+01  0.193923D+01 -0.210147D+01
      3   0.140493D+01 -0.109194D+01  0.222014D+01 -0.978164D+00  0.403667D+00
               156           157           158           159           160 
      1  -0.978164D+00  0.309730D+01 -0.445077D+01  0.130719D+01 -0.119328D+01
      2   0.403667D+00 -0.445077D+01  0.920176D+01 -0.301691D+01  0.122780D+01
      3  -0.836111D+00  0.130719D+01 -0.301691D+01  0.196382D+01 -0.147912D+01
               161           162           163           164           165 
      1   0.122780D+01 -0.147912D+01 -0.374797D+01 -0.778196D+00 -0.190021D+01
      2  -0.255765D+01  0.215558D+01 -0.778196D+00 -0.110432D+01 -0.365544D+00
      3   0.215558D+01 -0.155078D+01 -0.190021D+01 -0.365544D+00 -0.184216D+01
               166           167           168           169           170 
      1  -0.206604D+01 -0.128459D+01 -0.808885D+00 -0.205088D+01 -0.175714D-01
      2  -0.128459D+01 -0.128534D+01 -0.128117D+01 -0.175714D-01 -0.114387D+01
      3  -0.808885D+00 -0.128117D+01 -0.145827D+01 -0.171718D+01 -0.472569D+00
               171           172           173           174           175 
      1  -0.171718D+01 -0.104994D+02  0.372106D+01  0.319903D+01  0.123661D+01
      2  -0.472569D+00  0.372106D+01 -0.227041D+01 -0.101171D+01 -0.142588D+01
      3  -0.222575D+01  0.319903D+01 -0.101171D+01 -0.205391D+01 -0.107351D+00
               176           177           178           179           180 
      1  -0.142588D+01 -0.107351D+00  0.284980D+01 -0.100777D+01 -0.232839D+01
      2   0.157102D+01  0.788615D+00 -0.100777D+01  0.897136D+00  0.118332D+01
      3   0.788615D+00  0.570990D+00 -0.232839D+01  0.118332D+01  0.154693D+01
               181           182           183           184           185 
      1   0.831417D+00  0.107487D+01  0.113563D+01  0.107774D+01  0.547610D+00
      2   0.107487D+01  0.185643D+01  0.708570D+00  0.547610D+00  0.419592D+01
      3   0.113563D+01  0.708570D+00  0.120229D+01  0.262458D+00  0.204365D+01
               186           187           188           189           190 
      1   0.262458D+00  0.115659D+01 -0.103189D+00  0.242356D+00 -0.306786D+01
      2   0.204365D+01 -0.103189D+00  0.204442D+01  0.176297D+01 -0.378954D+01
      3   0.201877D+01  0.242356D+00  0.176297D+01  0.222278D+01 -0.176733D+01
               191           192           193           194           195 
      1  -0.378954D+01 -0.176733D+01 -0.233413D+01 -0.317277D+01 -0.858611D+00
      2  -0.535033D+01 -0.176225D+01 -0.317277D+01 -0.767321D+01 -0.222712D+01
      3  -0.176225D+01 -0.128429D+01 -0.858611D+00 -0.222712D+01 -0.170559D+01
               196           197           198           199           200 
      1  -0.115375D+01 -0.120545D+01 -0.112779D+01  0.346681D+01 -0.161411D+01
      2  -0.120545D+01 -0.259763D+01 -0.235775D+01 -0.161411D+01  0.187244D+01
      3  -0.112779D+01 -0.235775D+01 -0.155013D+01 -0.194241D+01  0.785370D+00
               201           202           203           204           205 
      1  -0.194241D+01 -0.814755D+00  0.839004D+00  0.340514D+00 -0.138564D+01
      2   0.785370D+00  0.839004D+00 -0.170762D+01 -0.123532D+01  0.401490D+00
      3   0.218309D+01  0.340514D+00 -0.123532D+01 -0.866517D+00  0.126609D+01
               206           207           208           209           210 
      1   0.401490D+00  0.126609D+01  0.332346D+00 -0.159190D+01  0.906116D+00
      2  -0.181047D+01 -0.125140D+01 -0.159190D+01  0.361355D+01 -0.121380D+01
      3  -0.125140D+01 -0.222439D+01  0.906116D+00 -0.121380D+01  0.531966D+00
               211           212           213           214           215 
      1  -0.108233D+01  0.104207D+01 -0.310699D+00  0.511973D+00 -0.339952D+00
      2   0.104207D+01 -0.113887D+02  0.308244D+01 -0.339952D+00  0.323516D+01
      3  -0.310699D+00  0.308244D+01 -0.206406D+01  0.138519D+00 -0.260731D+01
               216           217           218           219           220 
      1   0.138519D+00 -0.463621D+01 -0.884729D+00  0.223797D+01  0.246631D+00
      2  -0.260731D+01 -0.884729D+00 -0.127181D+01  0.371724D+00 -0.621519D+00
      3   0.154698D+01  0.223797D+01  0.371724D+00 -0.234976D+01 -0.733173D-01
               221           222           223           224           225 
      1  -0.621519D+00 -0.733173D-01  0.173392D+01  0.435806D+00 -0.164884D+01
      2  -0.551321D+00  0.942334D+00  0.435806D+00  0.146876D+01 -0.671168D+00
      3   0.942334D+00  0.340162D-01 -0.164884D+01 -0.671168D+00  0.222329D+01
               226           227           228           229           230 
      1   0.532790D+01 -0.179171D+01  0.828029D+00 -0.193101D+01  0.102692D+01
      2  -0.179171D+01  0.340134D+01 -0.125594D+01  0.102692D+01 -0.509801D+00
      3   0.828029D+00 -0.125594D+01  0.135260D+01 -0.178141D+00 -0.533259D+00
               231           232           233           234           235 
      1  -0.178141D+00 -0.117384D-01  0.111811D+00  0.591187D+00  0.640820D+00
      2  -0.533259D+00  0.111811D+00 -0.191230D+01  0.447573D+00 -0.393693D+00
      3  -0.121291D+00  0.591187D+00  0.447573D+00  0.255040D+00  0.705114D+00
               236           237           238           239           240 
      1  -0.393693D+00  0.705114D+00 -0.472071D+00 -0.432638D+00  0.228849D+00
      2  -0.948666D+00  0.293830D+00 -0.432638D+00  0.127373D+01 -0.133509D+00
      3   0.293830D+00 -0.209255D+00  0.228849D+00 -0.133509D+00  0.715085D+00
               241           242           243           244           245 
      1   0.100811D+01 -0.707697D-01  0.101670D+01 -0.676802D+01 -0.618045D+00
      2  -0.707697D-01  0.206792D+01 -0.119381D+01 -0.618045D+00 -0.223268D+01
      3   0.101670D+01 -0.119381D+01  0.739793D+01 -0.113178D+01 -0.561631D+00
               246           247           248           249           250 
      1  -0.113178D+01  0.155223D+00  0.203336D-01  0.515256D+00  0.374028D+00
      2  -0.561631D+00  0.203336D-01  0.936521D+00  0.842773D+00  0.754131D+00
      3  -0.129528D+01  0.515256D+00  0.842773D+00  0.408292D+00 -0.373186D+00
               251           252           253           254           255 
      1   0.754131D+00 -0.373186D+00 -0.600855D+00  0.616333D+00 -0.396328D+00
      2   0.155852D+01  0.641587D+00  0.616333D+00  0.118932D+01  0.513762D+00
      3   0.641587D+00 -0.249276D+00 -0.396328D+00  0.513762D+00  0.464582D+00
               256           257           258           259           260 
      1   0.345604D+00  0.744544D+00  0.449983D+00 -0.121352D+01 -0.424032D+00
      2   0.744544D+00  0.271717D+00 -0.172775D+00 -0.424032D+00 -0.186121D+01
      3   0.449983D+00 -0.172775D+00  0.580462D+00 -0.139926D+01 -0.711446D+00
               261           262           263           264           265 
      1  -0.139926D+01 -0.422774D+01 -0.184039D+01  0.429054D+00 -0.383131D+01
      2  -0.711446D+00 -0.184039D+01 -0.223751D+01  0.409675D+00 -0.931920D+00
      3  -0.739710D+01  0.429054D+00  0.409675D+00 -0.780114D+00  0.148750D+01
               266           267           268           269           270 
      1  -0.931920D+00  0.148750D+01 -0.153752D+01  0.768641D+00  0.923914D-01
      2  -0.252481D+01 -0.131081D+00  0.768641D+00 -0.392881D+00 -0.735558D+00
      3  -0.131081D+00 -0.111323D+01  0.923914D-01 -0.735558D+00  0.254226D+00
               271           272           273           274           275 
      1   0.115512D+01 -0.908817D+00 -0.151181D+00 -0.420626D+00 -0.498073D+00
      2  -0.908817D+00 -0.306954D+00  0.265122D+00 -0.498073D+00  0.290002D+00
      3  -0.151181D+00  0.265122D+00  0.727268D+00  0.198557D+00  0.721557D+00
               276           277           278           279           280 
      1   0.198557D+00  0.186270D+01 -0.422314D+00 -0.153985D+01  0.203864D+01
      2   0.721557D+00 -0.422314D+00  0.121059D+01 -0.280817D+00  0.525858D+00
      3  -0.174182D+00 -0.153985D+01 -0.280817D+00  0.739739D+01  0.368765D+00
               281           282           283           284           285 
      1   0.525858D+00  0.368765D+00  0.207794D+01  0.160690D+01 -0.303051D+00
      2   0.340562D+01 -0.137923D+01  0.160690D+01  0.516250D+01 -0.655747D+00
      3  -0.137923D+01  0.100082D+01 -0.303051D+00 -0.655747D+00  0.915783D+00
               286           287           288           289           290 
      1   0.609664D+00 -0.889366D+00  0.742086D+00 -0.405840D+00  0.245676D+00
      2  -0.889366D+00  0.132816D+01  0.239895D-02  0.245676D+00  0.655223D+00
      3   0.742086D+00  0.239895D-02 -0.249686D+00 -0.646691D+00 -0.307317D+00
               291           292           293           294           295 
      1  -0.646691D+00 -0.401747D-02  0.110873D+01 -0.369746D+00 -0.133191D+01
      2  -0.307317D+00  0.110873D+01 -0.813821D+00  0.746381D-01  0.491978D+00
      3   0.275004D+00 -0.369746D+00  0.746381D-01 -0.687957D+00  0.858087D-01
               296           297           298           299           300 
      1   0.491978D+00  0.858087D-01 -0.119396D+01 -0.117753D+00 -0.812435D+00
      2  -0.174491D+01  0.157046D+01 -0.117753D+00 -0.106883D+01 -0.772015D+00
      3   0.157046D+01 -0.739663D+01 -0.812435D+00 -0.772015D+00 -0.573691D+00
               301           302           303           304           305 
      1   0.200566D+01  0.161146D-02  0.307665D+00 -0.134257D+01 -0.881054D+00
      2   0.161146D-02  0.676582D+01  0.111148D+01 -0.881054D+00 -0.579356D+00
      3   0.307665D+00  0.111148D+01  0.123243D+01 -0.683302D+00  0.286627D+00
               306           307           308           309           310 
      1  -0.683302D+00  0.425909D-01 -0.596202D+00  0.300446D+00 -0.100729D+01
      2   0.286627D+00 -0.596202D+00 -0.588318D+00 -0.461977D+00 -0.913418D+00
      3   0.254449D+00  0.300446D+00 -0.461977D+00 -0.516568D+00 -0.527576D+00
               311           312           313           314           315 
      1  -0.913418D+00 -0.527576D+00  0.173979D+01  0.492600D+00  0.524706D+00
      2   0.332706D+00  0.266849D+00  0.492600D+00  0.133326D+01  0.147183D+01
      3   0.266849D+00 -0.544981D+00  0.524706D+00  0.147183D+01  0.739768D+01
               316           317           318           319           320 
      1   0.129586D+01 -0.142360D+01  0.327281D+00 -0.375562D+01  0.180918D+01
      2  -0.142360D+01  0.225997D+01  0.328879D+00  0.180918D+01 -0.457812D+01
      3   0.327281D+00  0.328879D+00  0.294777D+00  0.140683D+01 -0.620726D+00
               321           322           323           324           325 
      1   0.140683D+01  0.190869D+01  0.135620D+00 -0.367634D+00 -0.144804D+01
      2  -0.620726D+00  0.135620D+00  0.121231D-01 -0.644680D+00  0.115882D+00
      3  -0.132558D+01 -0.367634D+00 -0.644680D+00 -0.253373D+00  0.188355D+00
               326           327           328           329           330 
      1   0.115882D+00  0.188355D+00  0.635928D+00  0.607300D+00 -0.175543D+00
      2   0.619732D+00 -0.110872D+00  0.607300D+00 -0.435102D+00 -0.757011D+00
      3  -0.110872D+00 -0.735554D+00 -0.175543D+00 -0.757011D+00  0.114292D+00
               331           332           333 
      1  -0.206712D+01 -0.677988D-01  0.131483D+01
      2  -0.677988D-01 -0.100867D+01 -0.852859D+00
      3   0.131483D+01 -0.852859D+00 -0.739769D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.113077D+02 -0.621157D+01  0.547373D+01 -0.519900D+01 -0.321579D-01
      2   0.337322D+00  0.266354D+01  0.336487D+01  0.170044D+01  0.219498D+01
      3  -0.924367D+01  0.213927D+01  0.956824D+01  0.610373D+01  0.764596D+01
                 6             7             8             9            10 
      1  -0.900522D+01 -0.221167D+00 -0.249695D+01  0.342592D+00  0.483595D+01
      2   0.948710D+00  0.558714D+00 -0.338929D+00 -0.559418D+00 -0.302109D+01
      3   0.136789D+01  0.102658D+02  0.189994D+01 -0.335694D+01  0.968756D+01
                11            12            13            14            15 
      1  -0.837098D+01 -0.680632D+01 -0.709113D+01  0.664851D+01 -0.658209D+01
      2   0.200160D+01  0.579804D+01  0.250303D+01  0.100901D+01  0.375083D+00
      3  -0.504119D+01 -0.832056D+01 -0.104827D+01 -0.808347D+01  0.492622D+01
                16            17            18            19            20 
      1  -0.446310D+00 -0.215558D+01 -0.546058D+00  0.407741D+00 -0.114695D+01
      2   0.885672D+00  0.998792D+00 -0.393091D+00  0.189346D+02  0.131313D+02
      3  -0.875469D+01  0.568041D+01  0.336140D+01 -0.210091D+02 -0.171918D+02
                21            22            23            24            25 
      1   0.312029D+01 -0.959211D+00 -0.149844D+02  0.221201D+01  0.108233D+02
      2   0.859824D+01  0.418687D+01 -0.638367D+00 -0.304342D+01 -0.969348D+01
      3  -0.832040D+01  0.635144D+00  0.137341D+02  0.196435D+01 -0.292603D+01
                26            27            28            29            30 
      1   0.181426D+02  0.179715D+02  0.212971D+01  0.336205D+01  0.403751D-01
      2  -0.114100D+02 -0.163776D+02  0.298944D+01 -0.212143D+01 -0.821726D+00
      3   0.247771D+01 -0.679065D+00 -0.116013D+00 -0.641116D+00 -0.288211D-01
                31            32            33            34            35 
      1   0.311652D+01 -0.218638D+01  0.837660D+00  0.175267D+00  0.136477D+01
      2  -0.213520D+01 -0.321653D+01  0.692689D-01 -0.110750D+01 -0.189030D-01
      3   0.585353D+00  0.618965D-02  0.139912D+00  0.997822D-01  0.933621D-01
                36            37            38            39            40 
      1  -0.856590D-01  0.483086D+01 -0.244007D+01  0.158770D+01  0.110492D+01
      2  -0.222011D+00  0.878609D+01 -0.179050D+02  0.917891D+01 -0.974539D+01
      3  -0.119921D+00  0.100737D+02 -0.270503D+02  0.843427D+01 -0.927198D+01
                41            42            43            44            45 
      1   0.155450D+02  0.286358D+01 -0.460563D+01  0.248230D+02 -0.228928D+02
      2   0.258175D+01 -0.169160D+01 -0.308393D+01  0.514414D+01 -0.820720D+01
      3  -0.267147D+01 -0.137632D+01  0.366265D+01  0.115637D+01  0.712362D+00
                46            47            48            49            50 
      1   0.610220D+00 -0.172806D+01  0.431222D+01 -0.106193D+02 -0.206625D+02
      2   0.146448D+02  0.273277D+01 -0.120557D+01  0.171371D+01 -0.261123D+01
      3  -0.152166D+02 -0.540571D+01 -0.302842D+01  0.124648D+02  0.225007D+02
                51            52            53            54            55 
      1  -0.766121D+01  0.121336D+02  0.127356D+02  0.185590D+02  0.761047D+00
      2  -0.435689D+01 -0.152417D+02 -0.115675D+02 -0.156784D+02 -0.855474D+01
      3   0.800461D+01 -0.279733D+01  0.257040D+01  0.680272D+00  0.698500D+01
                56            57            58            59            60 
      1  -0.378473D+01 -0.372289D+00 -0.345520D+01  0.270865D+01 -0.673844D+01
      2   0.614923D+01  0.563412D+01  0.749192D+01 -0.251957D+01  0.678746D+01
      3   0.327232D+01 -0.596244D+01  0.726287D+01 -0.858148D+01  0.759176D+01
                61            62            63            64            65 
      1  -0.114559D+01 -0.108745D+01  0.311048D+00 -0.141381D+01 -0.230010D+01
      2   0.194426D+01  0.588584D+00  0.597389D+00 -0.142775D+01  0.327055D+01
      3  -0.677206D+01  0.792808D+01 -0.336274D+01 -0.626966D+01 -0.814881D+01
                66            67            68            69            70 
      1  -0.173629D+01 -0.340492D+01 -0.255340D+01 -0.288661D+01  0.747517D-01
      2   0.947880D+01  0.415575D+01  0.123393D+02 -0.466442D+01  0.246803D+01
      3  -0.108761D+00 -0.416661D+01  0.788892D+01 -0.964805D+01 -0.554447D+00
                71            72            73            74            75 
      1  -0.576028D+00  0.610719D+00 -0.412738D+01  0.103113D+02  0.310340D+01
      2   0.463038D+00 -0.280844D+00 -0.161783D+02 -0.115270D+01 -0.220610D+01
      3  -0.104117D+02  0.337600D+01 -0.205883D+01  0.102792D+02  0.238738D+01
                76            77            78            79            80 
      1   0.179713D+02 -0.435459D+01 -0.856099D+01 -0.215693D+01  0.215316D+01
      2   0.331934D+01 -0.542138D+01 -0.314821D+01 -0.257859D+02  0.149103D+01
      3   0.280594D+02 -0.509454D+01 -0.821417D+01 -0.660711D+00 -0.384680D+01
                81            82            83            84            85 
      1   0.525804D+01  0.231336D+01  0.381981D+01 -0.616403D+01 -0.390384D+01
      2   0.238167D+02  0.104738D+02 -0.104645D+02  0.316655D+01 -0.611108D+01
      3  -0.634875D+00  0.122569D+02 -0.197451D+02  0.587555D+01 -0.196853D+01
                86            87            88            89            90 
      1   0.208404D+02 -0.321400D+01 -0.953827D+01  0.214809D+02 -0.231710D+02
      2  -0.703916D+01  0.621948D+01 -0.644116D+01  0.897535D+01 -0.736519D+01
      3  -0.194880D+02  0.621654D+01  0.357776D+01  0.130438D+01 -0.699858D+00
                91            92            93            94            95 
      1  -0.809425D+01 -0.394713D+01 -0.107861D+01 -0.413569D+01  0.658285D+00
      2  -0.101313D+02 -0.597282D+00  0.326958D+01 -0.194344D+01  0.128313D+01
      3  -0.987530D+00  0.717396D+01  0.842783D+01  0.111831D+02  0.264888D+01
                96            97            98            99           100 
      1  -0.911482D+01  0.116525D+01 -0.183077D+01 -0.612796D-01 -0.119531D+01
      2  -0.536410D+01  0.117586D+01 -0.635809D+00  0.684029D+00 -0.174074D+01
      3   0.471942D+01  0.927967D+01  0.475376D+01  0.338611D+01 -0.147290D+00
               101           102           103           104           105 
      1   0.346617D-01  0.453132D+01 -0.131235D+01  0.902687D+01 -0.279286D+01
      2   0.288988D+01  0.957333D+01  0.249505D+01  0.102769D+02  0.191661D+01
      3  -0.113650D+02 -0.358060D+01 -0.740671D+01 -0.146802D+01 -0.895194D+01
               106           107           108           109           110 
      1   0.545697D+00 -0.982512D+00 -0.685595D+00  0.720385D+01  0.785888D+01
      2   0.207618D+01 -0.107957D+01 -0.456967D-01 -0.196986D+02  0.253783D+01
      3  -0.345402D+01 -0.984626D+01 -0.338111D+01  0.161951D+02  0.570352D+01
               111           112           113           114           115 
      1  -0.607493D+01  0.132145D+02 -0.760818D+01 -0.482251D+01 -0.676361D+01
      2   0.160494D+01 -0.456513D+01 -0.362106D+01  0.596762D+01 -0.236617D+02
      3  -0.540825D+01  0.235926D+02 -0.888852D+01 -0.670115D+01 -0.934973D+00
               116           117           118           119           120 
      1   0.432643D+01  0.436989D+01  0.121889D+01 -0.166790D+01 -0.187101D+01
      2   0.733198D+01  0.240249D+02  0.287891D+01  0.102319D+01  0.564723D+01
      3  -0.380955D+01  0.705526D+00  0.704874D+01 -0.554475D+01 -0.298010D+01
               121           122           123           124           125 
      1  -0.214866D+00  0.108126D+01 -0.332089D+00 -0.132089D+01  0.138697D+01
      2  -0.346851D+01 -0.188067D+01  0.592962D+00  0.260419D+01 -0.300574D+00
      3  -0.212130D+01  0.179373D+01  0.246255D+01 -0.767642D+00  0.299782D+01
               126           127           128           129           130 
      1   0.774573D+00  0.758054D+00  0.106207D+01  0.726488D+00 -0.155961D+00
      2  -0.262756D+01 -0.445559D+01  0.150286D+01 -0.228707D+01  0.890178D+00
      3   0.102604D+01 -0.337367D+01  0.341857D+01 -0.201113D+01  0.268293D+01
               131           132           133           134           135 
      1  -0.314560D+01 -0.190763D+01 -0.119937D+00  0.123008D+01  0.884912D+00
      2  -0.691435D+01  0.769005D+01 -0.198698D+01  0.541068D+01 -0.644623D+01
      3  -0.151805D+02  0.724418D+01 -0.518024D+00  0.581290D+01 -0.578149D+01
               136           137           138           139           140 
      1   0.168896D+00  0.104769D+01 -0.160656D+01  0.263268D+01  0.226936D+01
      2   0.204278D+00  0.338034D+00  0.486684D+01 -0.411177D+01  0.399054D+00
      3  -0.140811D+01 -0.524373D+01 -0.866991D+00 -0.182740D+01 -0.745472D+01
               141           142           143           144           145 
      1  -0.111059D+01 -0.979268D+00  0.404105D+00 -0.980785D+00 -0.275545D+01
      2   0.288494D+01  0.161730D+01  0.260504D+01  0.255450D+01  0.317865D+01
      3  -0.376816D+01  0.120934D+01 -0.284823D+01 -0.103020D+01  0.478621D+01
               146           147           148           149           150 
      1   0.129141D+01 -0.127281D+01  0.260735D+01 -0.604527D+01  0.301101D+01
      2   0.241447D+00  0.264577D+01  0.511482D+00  0.438459D+01 -0.713431D+01
      3  -0.458717D+01  0.281775D+01 -0.529001D+01  0.137465D+02 -0.697642D+01
               151           152           153           154           155 
      1  -0.155723D+01  0.418657D+01 -0.321654D+01  0.135587D+01 -0.524465D+00
      2   0.977062D+00 -0.372700D+01  0.564980D+01  0.112370D+01 -0.660874D+00
      3   0.311861D+01 -0.494436D+01  0.577807D+01 -0.217891D+00 -0.206073D+01
               156           157           158           159           160 
      1   0.227534D+01  0.263515D+01 -0.338006D+01 -0.324956D+01  0.117592D+01
      2   0.272627D+01  0.284399D+01  0.348902D+00 -0.355408D+01  0.531022D-01
      3  -0.643794D+00  0.136497D+01  0.903944D+01 -0.381002D+01 -0.221532D+01
               161           162           163           164           165 
      1  -0.117090D+01  0.189378D+01  0.545209D+01  0.184960D+01  0.413511D+01
      2  -0.279759D+01  0.198976D+01  0.109309D+01 -0.455898D+00  0.388482D+01
      3  -0.216580D+01  0.102658D+01 -0.958393D+01 -0.629479D+01 -0.527290D+01
               166           167           168           169           170 
      1   0.296966D+01  0.558205D+01  0.425992D+01  0.370521D+01  0.420315D+01
      2  -0.119655D+01  0.251964D+01  0.427600D+01  0.977661D+00  0.159307D+01
      3  -0.699902D+01 -0.894341D+01 -0.536220D+01 -0.478018D+01 -0.336367D+01
               171           172           173           174           175 
      1   0.515238D+01 -0.553127D+00 -0.241699D+01  0.338389D+01  0.652533D+00
      2   0.400409D+01  0.353638D+01 -0.232140D+01  0.399486D+01  0.128261D+01
      3  -0.579127D+01 -0.900555D+01 -0.256394D+01  0.369488D+01  0.862984D+00
               176           177           178           179           180 
      1  -0.118832D+01 -0.198462D+01  0.258248D+01  0.438745D+00 -0.171624D+01
      2  -0.172667D+01 -0.211518D+01  0.165464D+01 -0.958095D+00 -0.212164D+01
      3   0.139799D+00  0.112941D+01  0.185900D+01  0.247333D+01 -0.102772D+01
               181           182           183           184           185 
      1  -0.203152D+01  0.134484D+01 -0.320838D+01  0.457094D+00 -0.909012D-01
      2  -0.528287D+01 -0.276291D+01 -0.413187D+01 -0.175555D+01 -0.614410D+01
      3   0.724019D+01  0.671735D+01  0.463613D+01  0.602811D+01  0.113040D+02
               186           187           188           189           190 
      1  -0.378548D+01 -0.957105D+00 -0.608029D+00 -0.330091D+01 -0.648160D+00
      2  -0.519873D+01 -0.383775D+01 -0.433726D+01 -0.562069D+01 -0.185568D+01
      3   0.593496D+01  0.272662D+01  0.518219D+01  0.578139D+01  0.642771D+01
               191           192           193           194           195 
      1   0.436005D+01 -0.232567D+01 -0.258424D+00  0.368081D+00 -0.538546D+01
      2  -0.228899D+01  0.594712D+00 -0.130217D+01 -0.635933D+00  0.104638D+01
      3   0.247941D+01  0.362379D+01  0.590376D+01  0.241421D+01  0.134986D+01
               196           197           198           199           200 
      1  -0.228356D+01 -0.204355D+01 -0.266155D+01 -0.508565D+01 -0.371628D+00
      2  -0.831217D+00  0.662302D+00  0.641496D+00  0.590957D+01 -0.217112D+01
      3   0.298203D+01 -0.832360D+00  0.102589D+01 -0.148888D+02  0.394212D+01
               201           202           203           204           205 
      1   0.776830D+01 -0.289660D+00 -0.358226D+01 -0.178393D+01  0.435664D+01
      2  -0.216104D+01 -0.816209D+00  0.186814D+01  0.648685D+00 -0.381710D+01
      3   0.728305D+01  0.322427D+01 -0.367544D+01 -0.188352D+01  0.530339D+01
               206           207           208           209           210 
      1  -0.594943D+00 -0.603858D+01  0.164350D+01  0.398515D+01  0.135307D+00
      2   0.937357D+00  0.245592D+01 -0.112246D+01  0.726502D+00  0.105782D+00
      3  -0.245850D+01 -0.578372D+01 -0.287889D+01  0.266894D+01 -0.282591D+01
               211           212           213           214           215 
      1  -0.662115D+00 -0.234296D+01 -0.587215D+01  0.831232D+00 -0.266565D+01
      2   0.158004D+01 -0.128795D+01  0.114017D+01 -0.144925D+01  0.791027D+00
      3   0.609566D+01 -0.597791D+01  0.263243D+01 -0.307055D+01  0.373624D+00
               216           217           218           219           220 
      1   0.270128D+01  0.672185D+01 -0.624999D+00 -0.812795D+01 -0.104863D+01
      2  -0.427032D+00  0.411354D+01  0.594751D+00  0.948432D+00 -0.671278D+00
      3  -0.102629D+01  0.157999D+02 -0.107893D+01 -0.745549D+01 -0.174894D+01
               221           222           223           224           225 
      1   0.423099D+01  0.129106D+01 -0.542264D+01  0.127229D+01  0.652293D+01
      2  -0.255928D+00 -0.282833D+00 -0.196492D+01  0.122179D+00 -0.525372D-01
      3   0.274329D+01  0.104236D+01 -0.585742D+01 -0.218776D+00  0.578843D+01
               226           227           228           229           230 
      1  -0.491374D+00  0.386975D+01  0.915042D+00  0.114802D+01  0.633952D+00
      2  -0.921972D+01  0.359684D+01 -0.219804D+00  0.128183D+01 -0.422180D+00
      3  -0.121696D+02  0.139221D+01 -0.200926D+01  0.206556D+01 -0.100419D+01
               231           232           233           234           235 
      1  -0.182502D+01  0.188248D+01 -0.236723D+01  0.726955D+00  0.180637D+01
      2  -0.573335D+00  0.144903D+01 -0.186861D+01 -0.318133D+00  0.306196D-01
      3  -0.373132D+00  0.192544D+01 -0.347963D-01 -0.643190D+00 -0.509018D+00
               236           237           238           239           240 
      1  -0.288232D+00 -0.450127D+00  0.127784D+01  0.952411D+00  0.302252D+01
      2   0.447760D+00 -0.123184D+01  0.969880D-01 -0.191263D+01  0.160384D+01
      3  -0.285513D+00 -0.176256D+01  0.305675D+00 -0.176077D+01 -0.179075D+00
               241           242           243           244           245 
      1   0.287141D+01  0.835946D+00  0.158652D+02 -0.176689D+01  0.265440D+01
      2  -0.159643D+01 -0.156323D+01  0.446497D+01 -0.970112D+01 -0.893376D+00
      3  -0.200383D+01 -0.202144D+01 -0.174380D+01  0.117325D+02 -0.306537D+01
               246           247           248           249           250 
      1  -0.139359D+01  0.995286D+00 -0.202038D+01 -0.976353D+00 -0.165995D+01
      2   0.553943D+00  0.236256D+01  0.853051D+00  0.105623D+01  0.291966D+01
      3   0.175161D+01 -0.241573D+01  0.141149D+01 -0.110510D+01 -0.181003D+01
               251           252           253           254           255 
      1  -0.878959D+00 -0.777485D+00 -0.139126D+01 -0.519994D+00  0.774242D+00
      2   0.163729D+01 -0.306623D-01  0.868115D-01 -0.942084D+00 -0.221706D+01
      3   0.715592D+00  0.652735D+00  0.716950D+00  0.155005D+00  0.155713D+01
               256           257           258           259           260 
      1   0.105198D+01 -0.181360D+01  0.202613D+01 -0.250241D+01  0.253420D+01
      2  -0.117905D+01 -0.786550D+00 -0.194519D+01  0.121202D+00  0.117825D+01
      3   0.740067D+00  0.154355D+01 -0.839958D+00  0.106453D+01 -0.264357D+01
               261           262           263           264           265 
      1  -0.129463D+02 -0.320745D+01 -0.312121D+01  0.720616D+00 -0.380800D+01
      2   0.101786D+02  0.395821D+01  0.219060D+01  0.188291D+01  0.576563D+01
      3   0.176000D+01 -0.533198D+01 -0.598320D+01  0.743996D+00 -0.535942D+01
               266           267           268           269           270 
      1  -0.523301D+01  0.376772D+00 -0.523485D+00 -0.280011D-01 -0.634032D+00
      2   0.737514D+00 -0.343373D+00  0.372316D+01  0.576705D+00 -0.435285D+00
      3  -0.791943D+01  0.193678D+01 -0.987587D+00 -0.168602D+01 -0.669390D+00
               271           272           273           274           275 
      1  -0.177907D+01  0.108869D+01  0.321125D+00  0.377437D-02 -0.119722D+01
      2   0.174884D+00  0.102406D+00 -0.347508D+01 -0.103782D+01 -0.163354D+01
      3  -0.143905D+01  0.234060D+00  0.724879D+00  0.825704D+00 -0.819224D+00
               276           277           278           279           280 
      1   0.785901D+00 -0.150958D+00  0.333774D+01 -0.406914D+01 -0.332149D+00
      2   0.836233D+00  0.899009D+00  0.145946D+01 -0.159553D+02  0.426568D+01
      3   0.160992D+01 -0.764903D+00  0.273953D+01 -0.173515D+01  0.634672D+01
               281           282           283           284           285 
      1  -0.570436D+01  0.612153D+00 -0.201144D+01 -0.543721D+01 -0.169198D+01
      2   0.325224D+01 -0.183928D+00  0.302792D+01  0.341604D+01 -0.973641D+00
      3   0.551109D+01 -0.182461D+01  0.612653D+01  0.678947D+01 -0.976123D+00
               286           287           288           289           290 
      1  -0.907454D-01 -0.383627D+01  0.349709D+00  0.127838D+01  0.125745D+01
      2  -0.323057D-01  0.569016D-01  0.686402D+00  0.152502D+01  0.117773D+00
      3   0.152896D+01  0.122591D+01  0.658392D+00  0.960105D+00 -0.879905D+00
               291           292           293           294           295 
      1  -0.119168D+01  0.253537D+00 -0.267494D+00  0.333360D+01 -0.887282D+00
      2  -0.902703D+00 -0.111082D+01  0.163456D+01  0.966788D-02 -0.346266D+01
      3  -0.150845D+01 -0.290000D+00  0.130509D+01 -0.929096D+00 -0.281544D+01
               296           297           298           299           300 
      1  -0.106285D+01  0.152961D+02 -0.801881D+00 -0.356197D+01 -0.106038D+01
      2  -0.440790D+00  0.612129D+01  0.242545D+01 -0.137004D+01  0.651861D+00
      3   0.393502D+00  0.176174D+01 -0.231002D+01  0.365307D+01  0.132135D+01
               301           302           303           304           305 
      1  -0.874916D-01  0.906763D+01 -0.855207D+00 -0.131095D+01 -0.330945D+01
      2  -0.258926D+01  0.250745D+01  0.141845D+01  0.489027D+00  0.134963D+01
      3   0.427325D+01 -0.108526D+02 -0.161208D+01 -0.940897D+00  0.170417D+01
               306           307           308           309           310 
      1  -0.721955D-01  0.246952D+00  0.136833D+01  0.187154D+01  0.925344D+00
      2   0.773510D+00  0.198596D+01 -0.818714D+00 -0.168390D+01  0.716354D+00
      3  -0.661600D+00 -0.143713D+01 -0.838489D+00  0.103029D+01 -0.241724D+00
               311           312           313           314           315 
      1  -0.231051D-01  0.258488D+01 -0.768415D+00 -0.496780D+00 -0.117849D+02
      2   0.134825D+01 -0.717304D+00 -0.298486D+01  0.208018D+01  0.115051D+02
      3  -0.820737D+00 -0.143766D+01  0.275041D+01 -0.711733D+00 -0.173522D+01
               316           317           318           319           320 
      1   0.117642D+01 -0.212737D+01  0.273045D+00 -0.412660D+01  0.833912D+01
      2   0.251621D+00 -0.146684D+01  0.192107D+01 -0.455239D+01  0.848365D+00
      3   0.159432D+01 -0.341259D+01  0.936955D-01 -0.279390D+01  0.114861D+02
               321           322           323           324           325 
      1   0.438915D+00  0.169181D+01 -0.957869D+00  0.399935D+00  0.206242D+01
      2  -0.567053D+00  0.281576D+01 -0.168823D+01 -0.678435D+00 -0.520291D+00
      3   0.210782D+01  0.289172D+00 -0.188436D+01  0.636098D+00  0.174821D+01
               326           327           328           329           330 
      1   0.292636D+00 -0.134061D+01 -0.271836D+00  0.197710D+00  0.989558D+00
      2  -0.111918D+01 -0.325885D+01  0.365928D+00 -0.188285D+01  0.185826D+00
      3  -0.168517D+00 -0.507458D-01  0.422882D+00  0.537469D+00  0.176504D+01
               331           332           333 
      1   0.139984D+01  0.214995D+01 -0.235112D+01
      2  -0.290562D+00 -0.271535D+01 -0.163074D+02
      3   0.174294D+01  0.224493D+01  0.174653D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.671798D+01 -0.141348D+02  0.790445D+01 -0.100747D+02  0.295645D+02
      2   0.111858D+02  0.255451D+02 -0.864479D+01  0.188111D+02 -0.432753D+02
      3  -0.446778D+01 -0.114103D+02  0.740335D+00 -0.873639D+01  0.137108D+02
      4  -0.101140D+02  0.642949D+01  0.129403D+02  0.671620D+01  0.126264D+02
      5   0.836889D+01  0.319025D+00 -0.766326D+01 -0.313313D+01 -0.318920D+01
      6   0.145170D+02 -0.908354D+01 -0.576929D+01 -0.410762D+01  0.263826D+02
                 6             7             8             9            10 
      1  -0.136162D+02  0.637743D+01 -0.892915D+01 -0.117021D+01  0.123721D+02
      2   0.255787D+02 -0.665320D+01  0.176075D+02 -0.288394D+01 -0.176773D+02
      3  -0.119625D+02  0.275771D+00 -0.867836D+01  0.405415D+01  0.530525D+01
      4   0.520101D-01  0.106779D+02 -0.211731D+01 -0.420791D+01  0.112133D+01
      5  -0.937152D+00 -0.650795D+01 -0.288620D+00  0.781390D+00 -0.924909D+00
      6  -0.652211D+01 -0.384179D+01 -0.726106D+01 -0.393371D+01 -0.222784D+02
                11            12            13            14            15 
      1   0.118551D+02 -0.360892D+00  0.959393D+01  0.621708D+00  0.871541D+01
      2  -0.267330D+02 -0.492011D+01 -0.218048D+02 -0.451885D+01 -0.194720D+02
      3   0.148780D+02  0.528100D+01  0.122109D+02  0.389714D+01  0.107566D+02
      4  -0.243298D+02 -0.191664D+02 -0.203055D+02 -0.223234D+02 -0.705118D+01
      5  -0.880110D+01 -0.513743D+01 -0.370195D+01 -0.996149D+01  0.339036D+00
      6  -0.866307D+01  0.516271D+01 -0.539335D+01 -0.175039D+02 -0.909236D+01
                16            17            18            19            20 
      1  -0.149474D+01  0.445488D+01  0.156753D+01 -0.186130D+02 -0.493041D+01
      2  -0.210363D+01 -0.123668D+02 -0.565322D+01  0.124320D+02  0.711374D+01
      3   0.359837D+01  0.791193D+01  0.408569D+01  0.618097D+01 -0.218333D+01
      4  -0.154109D+02 -0.541737D+01  0.234663D+01 -0.784699D+01  0.505214D+01
      5  -0.516715D+01 -0.597940D+00  0.224047D+01 -0.442798D+01  0.246296D+01
      6   0.295509D+01 -0.865361D+01  0.332869D+01  0.473755D+01  0.261254D+01
                21            22            23            24            25 
      1  -0.226121D+01 -0.979284D+01 -0.117877D+02 -0.107356D+02 -0.883559D+00
      2   0.173923D+00  0.145581D+02  0.109290D+02  0.126496D+02  0.194166D+01
      3   0.208728D+01 -0.476522D+01  0.858693D+00 -0.191397D+01 -0.105811D+01
      4   0.201963D+01  0.753899D+01  0.104750D+02  0.542653D+01  0.358463D+00
      5   0.384899D+01  0.159398D+01  0.897229D+01  0.202903D+01  0.302065D+01
      6   0.221961D+01  0.439620D+01  0.898574D+01  0.687625D+01 -0.194977D+00
                26            27            28            29            30 
      1  -0.555371D+01  0.392494D+01 -0.842078D+01 -0.331808D-01 -0.524528D+01
      2   0.533467D+01  0.126851D+02  0.283743D+01  0.342152D-01  0.528338D+01
      3   0.219037D+00 -0.166101D+02  0.558334D+01 -0.103444D-02 -0.380993D-01
      4   0.368088D+01 -0.595602D-01 -0.234970D-01 -0.556729D+01  0.350005D+01
      5   0.466739D+00 -0.461986D+01 -0.326410D+01  0.218959D+01 -0.302765D+01
      6   0.579461D+01 -0.736061D+01  0.218621D+01  0.333782D+01 -0.179901D-01
                31            32            33            34            35 
      1   0.904865D-02  0.288273D+01  0.349424D+01 -0.775656D+01  0.517818D+01
      2  -0.374897D-01 -0.849469D+01 -0.350071D+01  0.777084D+01 -0.518184D+01
      3   0.284411D-01  0.561196D+01  0.647542D-02 -0.142839D-01  0.365942D-02
      4  -0.564113D+01 -0.241514D-01  0.529618D+01  0.521803D+01  0.771585D+01
      5   0.217923D+01  0.331239D+01  0.357884D-01  0.389859D+01  0.102941D-01
      6   0.330999D+01 -0.218334D+01 -0.302168D+01  0.869034D-02  0.383404D+01
                36            37            38            39            40 
      1  -0.274004D+00 -0.310991D+01  0.143805D+01  0.118068D+01  0.625399D+01
      2  -0.342884D+00 -0.473184D+01 -0.737568D+00 -0.385700D+01 -0.812014D+01
      3   0.616888D+00  0.784175D+01 -0.700477D+00  0.267632D+01  0.186614D+01
      4   0.118503D-01  0.127815D+02 -0.572311D+01 -0.220651D+01 -0.833038D+01
      5  -0.267033D-01 -0.470778D+01  0.269094D+01  0.279280D+01  0.418059D+01
      6   0.286480D-01 -0.116027D+01 -0.102987D+01 -0.516366D+00  0.262839D+00
                41            42            43            44            45 
      1  -0.212412D+02  0.115828D+02  0.182081D+01  0.630393D+01  0.525934D+01
      2   0.220615D+02 -0.125439D+02 -0.789149D+00 -0.649262D+01  0.113425D+02
      3  -0.820316D+00  0.961115D+00 -0.103166D+01  0.188690D+00 -0.166019D+02
      4   0.436707D+01 -0.390695D+01  0.247598D+00 -0.144741D+01  0.312417D+01
      5   0.362102D+01 -0.330398D+00  0.331923D+01  0.555889D+00 -0.142164D+01
      6  -0.132489D+02  0.791188D+01  0.120382D+01  0.547119D+01  0.859152D+01
                46            47            48            49            50 
      1   0.563415D+01  0.110812D+02  0.108179D+02  0.454107D+01  0.161529D+02
      2  -0.749796D+01 -0.575815D+01 -0.864473D+01 -0.179091D+01 -0.213059D+02
      3   0.186380D+01 -0.532302D+01 -0.217317D+01 -0.275016D+01  0.515301D+01
      4   0.105895D+02  0.122439D+02  0.789695D+01  0.830348D+01 -0.110532D+01
      5   0.687967D+01  0.434394D+01  0.626546D+01  0.246702D+01  0.614897D+01
      6   0.917831D+01  0.383557D+01  0.233603D+01  0.450376D+01 -0.294051D+01
                51            52            53            54            55 
      1   0.102972D+01  0.390799D+01  0.235326D+01  0.125304D+02  0.563035D+01
      2  -0.289119D+01 -0.425634D+01 -0.137832D+01  0.408683D+01 -0.605272D+01
      3   0.186147D+01  0.348350D+00 -0.974942D+00 -0.166172D+02  0.422375D+00
      4   0.332947D+01  0.482972D+01  0.132349D+01  0.109499D+01 -0.151481D+02
      5   0.256374D+01  0.570681D+01  0.186159D+00 -0.671886D+01 -0.145560D+02
      6   0.443588D+01  0.828187D+00  0.311327D+01 -0.549778D+01 -0.101516D+02
                56            57            58            59            60 
      1  -0.129498D+02 -0.170394D+02 -0.167410D+02 -0.217915D+02 -0.211867D+01
      2   0.139809D+01  0.705467D+01  0.251130D+01  0.129899D+02 -0.450611D+01
      3   0.115517D+02  0.998468D+01  0.142297D+02  0.880160D+01  0.662478D+01
      4  -0.252806D+02 -0.785403D+01 -0.301310D+02 -0.986727D+01 -0.202940D+02
      5  -0.385651D+01 -0.971499D+01 -0.645652D+01 -0.234487D+02  0.455915D+01
      6  -0.520346D+01 -0.247990D+00 -0.106939D+02 -0.580033D+01 -0.448594D+01
                61            62            63            64            65 
      1  -0.108395D+02  0.493330D+00 -0.611302D+01 -0.494028D+02  0.831281D+01
      2   0.345244D+01 -0.507737D+01  0.204039D+01  0.334221D+02 -0.226582D+01
      3   0.738710D+01  0.458404D+01  0.407263D+01  0.159808D+02 -0.604699D+01
      4  -0.538262D+01 -0.157954D+02  0.133774D+01 -0.149248D+00  0.111849D+02
      5  -0.888293D+01  0.246074D+01  0.301913D+01  0.279961D+02 -0.174756D+01
      6  -0.107766D+01 -0.492003D+01  0.264390D+01  0.103080D+01 -0.485620D+01
                66            67            68            69            70 
      1   0.262299D+02  0.149418D+02  0.176521D+02 -0.838037D+01  0.187773D+02
      2  -0.142738D+02 -0.622767D+01 -0.108810D+02  0.919090D+01 -0.101233D+02
      3  -0.119561D+02 -0.871414D+01 -0.677102D+01 -0.810530D+00 -0.865402D+01
      4   0.370982D+01  0.123114D+02 -0.449558D+01  0.109296D+02  0.236188D+00
      5  -0.571703D+01 -0.714321D+01  0.118729D+02 -0.548869D+01 -0.675129D+01
      6  -0.677268D+00 -0.207660D+01  0.943212D+01 -0.850477D+01 -0.320749D+00
                71            72            73            74            75 
      1  -0.681704D+01 -0.180587D+01  0.203880D+02 -0.199725D+01 -0.106335D+02
      2   0.766589D+01 -0.226765D+01 -0.195739D+02  0.126196D+01  0.100048D+02
      3  -0.848850D+00  0.407352D+01 -0.814095D+00  0.735292D+00  0.628656D+00
      4   0.872809D+01 -0.429406D+01  0.119142D+02 -0.993995D+01 -0.644342D+01
      5  -0.387023D+01 -0.400947D+01 -0.131876D+02 -0.191971D+01  0.797411D+01
      6  -0.705456D+01  0.265090D+00  0.917362D+00  0.490581D+01  0.368015D+00
                76            77            78            79            80 
      1   0.447809D+01 -0.820295D+01 -0.461546D+01 -0.576822D+01 -0.154325D+01
      2  -0.262672D+01  0.347461D+00  0.184698D+01  0.544124D+01  0.256057D+01
      3  -0.185137D+01  0.785549D+01  0.276848D+01  0.326977D+00 -0.101732D+01
      4  -0.588799D+01  0.100904D+02 -0.366409D+01 -0.299865D+01 -0.503968D+00
      5  -0.302016D+01 -0.970621D+00  0.138609D+00  0.523322D+01  0.146551D+01
      6   0.326902D+01 -0.383341D+01  0.276235D+01  0.812971D+00  0.361727D+01
                81            82            83            84            85 
      1   0.104522D+02 -0.722936D+00  0.510508D+01  0.289397D+01  0.730967D+01
      2   0.617069D+01 -0.446101D+01 -0.104488D+02 -0.222788D+00 -0.100698D+02
      3  -0.166229D+02  0.518395D+01  0.534371D+01 -0.267118D+01  0.276017D+01
      4   0.382528D+01 -0.411412D+01  0.112002D+02 -0.100766D+02  0.468934D+01
      5   0.869052D+01  0.229500D+01 -0.695553D+00  0.429486D+01  0.127694D+01
      6  -0.306891D+00 -0.578732D+01  0.774501D+01 -0.229233D+01  0.762593D+01
                86            87            88            89            90 
      1   0.839910D+01  0.839144D+00 -0.982759D+00 -0.517575D+00  0.105520D+02
      2  -0.102367D+02 -0.178869D-01  0.244627D+00 -0.315442D+00  0.606639D+01
      3   0.183764D+01 -0.821257D+00  0.738132D+00  0.833017D+00 -0.166184D+02
      4  -0.204908D+02  0.820419D+01 -0.497303D+01  0.450637D+01 -0.378036D+01
      5   0.731252D+01 -0.247739D+01  0.498756D+01 -0.936688D+00 -0.406847D+01
      6  -0.502730D+01  0.644516D+01 -0.162139D+01  0.384116D+01  0.770442D+01
                91            92            93            94            95 
      1   0.600813D+01 -0.134903D+02 -0.118631D+02 -0.138379D+02 -0.107592D+01
      2   0.144697D+01  0.183443D+02  0.520312D+01  0.213683D+02 -0.156012D+02
      3  -0.745510D+01 -0.485398D+01  0.665997D+01 -0.753036D+01  0.166772D+02
      4  -0.958318D+01 -0.110608D+02  0.784002D+01 -0.161682D+02  0.354828D+02
      5  -0.976918D+01 -0.240002D+01 -0.105067D+02 -0.210987D+01 -0.192386D+02
      6   0.828023D+01 -0.379427D+01  0.276748D+01 -0.984892D+01  0.210279D+02
                96            97            98            99           100 
      1  -0.793042D+01 -0.870069D+01 -0.813200D+01 -0.589982D+01 -0.300166D+02
      2   0.178847D+02  0.364817D+01  0.152098D+02  0.182155D+01  0.121392D+02
      3  -0.995426D+01  0.505252D+01 -0.707776D+01  0.407826D+01  0.178774D+02
      4  -0.178746D+02  0.465533D+01 -0.118864D+02  0.194884D+01  0.339005D+02
      5  -0.209776D+01 -0.880285D+01 -0.873677D+00  0.178098D+01  0.247570D+02
      6  -0.373638D+01  0.270446D+01 -0.499628D+01 -0.362302D+01 -0.153487D+02
               101           102           103           104           105 
      1   0.204537D+02  0.214807D+02  0.161498D+02  0.949139D+01  0.574254D+01
      2  -0.162989D+02 -0.107643D+02 -0.146776D+02 -0.850111D+00 -0.110712D+02
      3  -0.415476D+01 -0.107164D+02 -0.147226D+01 -0.864128D+01  0.532870D+01
      4  -0.523668D+01 -0.150563D+02 -0.711796D+00 -0.114049D+02  0.787519D+01
      5  -0.744935D+01 -0.390756D+01 -0.140695D+01  0.804434D+01  0.360603D+01
      6  -0.428258D+01 -0.123907D+01 -0.378892D+01 -0.955942D+01 -0.102776D+02
               106           107           108           109           110 
      1   0.174328D+02  0.454968D+01  0.118763D+01 -0.147258D+01 -0.106926D+02
      2  -0.976997D+01 -0.864848D+01 -0.525176D+01  0.637167D+00  0.853265D+01
      3  -0.766280D+01  0.409880D+01  0.406413D+01  0.835408D+00  0.215994D+01
      4  -0.916902D+01  0.493784D+01  0.286262D+01 -0.232525D+02 -0.259784D+00
      5  -0.529802D+01  0.314500D+01 -0.381296D+01 -0.785627D+01  0.717096D+01
      6  -0.405799D+00 -0.851003D+01  0.130030D+01  0.618230D+01  0.288794D+01
               111           112           113           114           115 
      1  -0.238290D+01 -0.127867D+02 -0.649877D+01  0.217536D+01 -0.160990D+01
      2   0.288830D+01  0.805689D+01  0.307831D+00  0.635280D+00  0.923163D+00
      3  -0.505396D+00  0.472986D+01  0.619094D+01 -0.281064D+01  0.686735D+00
      4   0.910122D+01  0.630861D+01 -0.336039D+01 -0.903841D+01  0.489093D+01
      5   0.700526D+01  0.755337D+01 -0.406803D+01 -0.190743D+01  0.417148D+01
      6  -0.211086D+01  0.945939D+00  0.195414D+01  0.369629D+01 -0.106231D+01
               116           117           118           119           120 
      1   0.132972D+01  0.711044D+01  0.831661D+02 -0.110816D+01 -0.216293D+02
      2  -0.212148D+01  0.950108D+01 -0.479322D+02  0.161848D+01  0.145201D+02
      3   0.791757D+00 -0.166115D+02 -0.352339D+02 -0.510324D+00  0.710925D+01
      4  -0.396545D+01 -0.420760D+01  0.104234D+02  0.801466D+01 -0.245934D+01
      5  -0.169642D+01  0.815657D+01 -0.332462D+02  0.465088D+00  0.187594D+02
      6   0.464833D+01 -0.308107D+01 -0.361017D+01 -0.163386D+01  0.298959D+01
               121           122           123           124           125 
      1  -0.143919D+02  0.735478D+01  0.510034D+01 -0.177483D+02  0.106012D+01
      2   0.994816D+01 -0.399612D+01 -0.472477D+01  0.142633D+02 -0.177492D+01
      3   0.444375D+01 -0.335866D+01 -0.375567D+00  0.348491D+01  0.714798D+00
      4   0.947367D+01 -0.872575D+00 -0.443762D+01 -0.272052D+01 -0.343383D+01
      5   0.633201D+01 -0.571614D+01 -0.276655D+01  0.227168D+02  0.225874D+00
      6  -0.253455D+01 -0.927939D+00  0.274496D+01  0.317465D+01  0.274931D+01
               126           127           128           129           130 
      1   0.134229D+02  0.131656D+01  0.544427D+01 -0.744019D+01  0.450207D+01
      2  -0.110405D+02  0.524941D-01 -0.375077D+01  0.378268D+01 -0.141574D+01
      3  -0.238242D+01 -0.136906D+01 -0.169350D+01  0.365751D+01 -0.308632D+01
      4   0.215902D+01  0.222559D+01  0.212709D-01 -0.127461D+01  0.728276D+01
      5  -0.135237D+02 -0.499045D+01 -0.759051D+00  0.629895D+00 -0.346271D+01
      6  -0.162349D+01 -0.341020D+01  0.283904D+01 -0.196892D+01 -0.215627D+01
               131           132           133           134           135 
      1  -0.133568D+02  0.749844D+01 -0.627728D+01  0.528168D+01 -0.647831D+01
      2   0.182415D+02 -0.642636D+01  0.353392D+01 -0.311348D+01  0.186537D+01
      3  -0.488472D+01 -0.107207D+01  0.274337D+01 -0.216820D+01  0.461294D+01
      4   0.227451D+02 -0.106576D+02 -0.448037D+01 -0.880481D+01  0.809925D+01
      5  -0.106930D+02  0.120553D+02  0.512849D+01  0.855969D+01 -0.107109D+02
      6  -0.170074D+02  0.127820D+02  0.155108D+01  0.112574D+02 -0.110248D+02
               136           137           138           139           140 
      1   0.344827D+02  0.170418D+02  0.101348D+02  0.209193D+02  0.124879D+02
      2  -0.129610D+02 -0.361922D+01 -0.472672D+01 -0.253528D+01  0.458375D+01
      3  -0.215217D+02 -0.134226D+02 -0.540810D+01 -0.183840D+02 -0.170717D+02
      4   0.317580D+02  0.233775D+02  0.974788D+01  0.342048D+02  0.345555D+02
      5   0.184866D+02  0.964534D+01  0.129266D+02  0.137552D+02  0.151697D+02
      6   0.834711D+01  0.587808D+01  0.482094D+01  0.101644D+02  0.117505D+02
               141           142           143           144           145 
      1   0.421789D+01  0.876783D+01  0.255724D+01  0.643924D+01  0.149842D+02
      2   0.405612D+00 -0.556925D+01 -0.100744D+01 -0.406156D+01 -0.998513D+01
      3  -0.462351D+01 -0.319859D+01 -0.154981D+01 -0.237768D+01 -0.499910D+01
      4   0.149078D+02  0.103243D+02  0.107633D+02  0.112476D+02 -0.519364D+01
      5   0.105796D+02  0.169530D+02  0.106708D+02  0.117103D+02  0.122179D+02
      6   0.856484D+01  0.772025D+01  0.849861D+01  0.693760D+01 -0.878506D+00
               146           147           148           149           150 
      1  -0.619516D+01  0.843416D+01 -0.135025D+02  0.840093D+01 -0.356516D+01
      2   0.457111D+01 -0.617481D+01  0.104734D+02 -0.712006D+01  0.663521D+01
      3   0.162405D+01 -0.225935D+01  0.302914D+01 -0.128087D+01 -0.307005D+01
      4   0.780932D+01 -0.173143D+01  0.112766D+02 -0.159124D+02  0.106240D+02
      5  -0.396441D+01  0.100235D+02 -0.915916D+01  0.126783D+02 -0.141818D+02
      6   0.198236D+01 -0.162174D+00  0.429103D+01 -0.577698D+01  0.341062D+01
               151           152           153           154           155 
      1   0.940132D+01 -0.783877D+00  0.444666D+01  0.567807D+01 -0.527019D+01
      2  -0.853475D+01  0.417096D+01 -0.904376D+01  0.395895D+01 -0.508328D+01
      3  -0.866569D+00 -0.338708D+01  0.459709D+01 -0.963702D+01  0.103535D+02
      4  -0.101542D+01  0.720776D+01 -0.612685D+01 -0.175956D+02  0.198654D+02
      5   0.122912D+02 -0.777263D+01  0.152049D+02  0.778285D+01 -0.595092D+01
      6  -0.764950D+00  0.410674D+01 -0.223085D+01 -0.666691D+01  0.499028D+01
               156           157           158           159           160 
      1   0.361699D+01 -0.107319D+01 -0.136961D+02  0.595465D+01  0.154977D+01
      2  -0.388476D+00 -0.142318D+02  0.426658D+02 -0.123008D+02  0.809074D+00
      3  -0.322851D+01  0.153050D+02 -0.289698D+02  0.634617D+01 -0.235884D+01
      4  -0.668435D+01  0.284917D+02 -0.489119D+02  0.156460D+02 -0.803637D+01
      5   0.685087D+01 -0.810424D+01  0.156452D+02 -0.986975D+01  0.921818D+01
      6  -0.411560D+01  0.105224D+02 -0.248142D+02  0.146584D+02 -0.802298D+01
               161           162           163           164           165 
      1   0.539853D+01 -0.305327D+01  0.252026D+02  0.686959D+01  0.106024D+02
      2  -0.805776D+01  0.543277D+01 -0.191417D+02 -0.724230D+01 -0.969916D+01
      3   0.265923D+01 -0.237950D+01 -0.606096D+01  0.372710D+00 -0.903284D+00
      4   0.129362D+02 -0.116749D+02 -0.310045D+01  0.538324D+01 -0.214160D+01
      5  -0.109745D+02  0.817676D+01  0.170744D+02  0.311494D+01  0.141204D+02
      6   0.162505D+02 -0.109024D+02 -0.295064D+01  0.173457D+01 -0.427213D+01
               166           167           168           169           170 
      1   0.146679D+02  0.709367D+01  0.597519D+01  0.888146D+01  0.189448D+01
      2  -0.136523D+02 -0.692160D+01 -0.969210D+01 -0.938948D+01 -0.536447D+01
      3  -0.101560D+01 -0.172068D+00  0.371692D+01  0.508027D+00  0.346999D+01
      4   0.318464D+01  0.373272D+01  0.512394D+01 -0.391347D+01  0.524244D+01
      5   0.878876D+01  0.845975D+01  0.975367D+01  0.141094D+02  0.363724D+01
      6   0.188823D+01 -0.430734D+00 -0.689333D+00 -0.338132D+01  0.228655D+01
               171           172           173           174           175 
      1   0.679231D+01  0.577108D+02 -0.148952D+02 -0.160738D+02 -0.373142D+01
      2  -0.114150D+02 -0.257408D+02  0.254273D+01  0.936849D+01 -0.365949D+01
      3   0.462269D+01 -0.319700D+02  0.123525D+02  0.670536D+01  0.739091D+01
      4  -0.435544D+00 -0.453566D+02  0.220757D+02  0.135287D+02  0.154524D+02
      5   0.149257D+02 -0.285178D+02  0.871448D+01  0.163164D+02  0.294605D+01
      6  -0.376891D+01  0.136982D+02 -0.574302D+01 -0.861082D+01 -0.432631D+01
               176           177           178           179           180 
      1   0.521568D+01 -0.702805D+00 -0.114561D+02  0.141974D+01  0.831087D+01
      2   0.141666D+01  0.306733D+01  0.851558D+01  0.570357D+00 -0.592686D+01
      3  -0.663234D+01 -0.236453D+01  0.294049D+01 -0.199010D+01 -0.238401D+01
      4  -0.117447D+02 -0.523285D+01  0.116725D+02 -0.637562D+01 -0.101660D+02
      5  -0.570288D+01 -0.285796D+01  0.185781D+02 -0.678039D+01 -0.118535D+02
      6   0.538270D+01  0.516518D+01 -0.972925D+01  0.687022D+01  0.666205D+01
               181           182           183           184           185 
      1  -0.490605D+01 -0.123245D+02 -0.949439D+01 -0.673478D+01 -0.203295D+02
      2   0.511065D+01  0.125765D+02  0.570719D+01  0.557394D+01  0.264070D+02
      3  -0.204599D+00 -0.252014D+00  0.378720D+01  0.116084D+01 -0.607752D+01
      4   0.124094D+01  0.721280D+00  0.349905D+01  0.473368D+01 -0.825161D+01
      5  -0.185445D+01  0.115809D+01 -0.114887D+01  0.177091D+01 -0.484383D+01
      6   0.687151D+01  0.768427D+01  0.772547D+01  0.202968D+01  0.180114D+02
               186           187           188           189           190 
      1  -0.101179D+02 -0.547958D+01 -0.885822D+01 -0.109743D+02 -0.186557D+01
      2   0.105444D+02  0.211329D+01  0.791245D+01  0.637497D+01  0.148962D+02
      3  -0.426507D+00  0.336629D+01  0.945774D+00  0.459931D+01 -0.130307D+02
      4  -0.428927D+01  0.489849D+01 -0.557158D+01 -0.278251D+01  0.257740D+02
      5  -0.629347D+01  0.246133D+01 -0.491567D+01 -0.568369D+01  0.795583D+01
      6   0.145891D+02  0.209143D+01  0.139432D+02  0.142952D+02  0.133620D+02
               191           192           193           194           195 
      1  -0.853620D+01 -0.244133D+01 -0.687874D+01 -0.227128D+02 -0.738195D+01
      2   0.257928D+02  0.631973D+01  0.191864D+02  0.482636D+02  0.133484D+02
      3  -0.172566D+02 -0.387840D+01 -0.123077D+02 -0.255508D+02 -0.596648D+01
      4   0.301709D+02  0.128223D+02  0.200801D+02  0.311425D+02  0.925793D+01
      5   0.856629D+01  0.665669D+01  0.485131D+01  0.760413D+01  0.400228D+01
      6   0.141729D+02  0.976283D+01  0.954393D+01  0.226589D+02  0.148564D+02
               196           197           198           199           200 
      1  -0.265594D+01 -0.841694D+01 -0.679233D+01 -0.406206D+01  0.769555D+01
      2   0.377848D+01  0.117901D+02  0.916901D+01  0.599314D+01 -0.111077D+02
      3  -0.112254D+01 -0.337319D+01 -0.237668D+01 -0.193108D+01  0.341220D+01
      4   0.880231D+01  0.935598D+01  0.951381D+01 -0.201739D+02  0.124004D+02
      5   0.627027D+01  0.632147D+01  0.535752D+01 -0.832715D+01  0.467073D+01
      6   0.927110D+01  0.191926D+02  0.125248D+02  0.133919D+02 -0.833243D+01
               201           202           203           204           205 
      1   0.440141D+01  0.291436D+01 -0.685717D+01 -0.494579D+01  0.324571D+01
      2  -0.164147D+01 -0.492983D+01  0.111798D+02  0.757734D+01  0.888739D-02
      3  -0.275994D+01  0.201547D+01 -0.432259D+01 -0.263155D+01 -0.325460D+01
      4   0.119458D+02  0.735741D+01 -0.541997D+01 -0.201672D+01  0.797014D+01
      5   0.537704D+01  0.170257D+01 -0.151400D+01 -0.771407D+00  0.535004D+01
      6  -0.147932D+02 -0.348677D+01  0.104016D+02  0.804463D+01 -0.868593D+01
               206           207           208           209           210 
      1  -0.761086D+01 -0.724068D+01 -0.519265D+01  0.127710D+02 -0.527226D+01
      2   0.890568D+01  0.262609D+01  0.960515D+01 -0.212715D+02  0.657099D+01
      3  -0.129481D+01  0.461459D+01 -0.441249D+01  0.850052D+01 -0.129874D+01
      4  -0.227233D+01 -0.766010D+01 -0.502480D+01  0.125418D+02 -0.580092D+01
      5  -0.167615D+01 -0.419418D+01  0.489147D+00 -0.336812D+01  0.298425D+01
      6   0.110462D+02  0.148042D+02 -0.705059D+01  0.940500D+01 -0.483372D+01
               211           212           213           214           215 
      1   0.517905D+01 -0.467953D+02  0.139582D+02 -0.270725D+01  0.141767D+02
      2  -0.872151D+01  0.809986D+02 -0.209543D+02  0.245150D+01 -0.177246D+02
      3   0.354246D+01 -0.342033D+02  0.699607D+01  0.255746D+00  0.354789D+01
      4   0.833867D+01 -0.414610D+01  0.154471D+01 -0.384525D+01  0.100909D+01
      5  -0.171241D+01  0.837628D-01  0.918685D+00  0.264589D+01  0.538853D+00
      6   0.370880D+01 -0.321304D+02  0.184940D+02 -0.240921D+01  0.227942D+02
               216           217           218           219           220 
      1  -0.111705D+02  0.124943D+02 -0.150512D+01 -0.391828D+01 -0.190314D+01
      2   0.135534D+02 -0.827493D+01  0.497855D+01  0.544317D+01  0.397239D+01
      3  -0.238290D+01 -0.421933D+01 -0.347343D+01 -0.152489D+01 -0.206924D+01
      4  -0.107316D+01  0.249923D+02  0.931582D+01 -0.120195D+02  0.186494D+01
      5   0.152035D+00 -0.154174D+02 -0.335437D+01  0.112791D+02  0.123720D+01
      6  -0.135965D+02 -0.121647D+02 -0.462047D+01  0.134626D+02 -0.127225D+01
               221           222           223           224           225 
      1  -0.121122D+01  0.344076D+01 -0.127376D+01  0.441537D+01 -0.367193D+00
      2   0.326960D+01 -0.693868D+01  0.377567D+01 -0.685694D+01 -0.423450D+01
      3  -0.205838D+01  0.349792D+01 -0.250191D+01  0.244157D+01  0.460169D+01
      4   0.308253D+01 -0.136238D+01 -0.911524D+01 -0.429992D+01  0.890390D+01
      5  -0.278687D+01 -0.558351D+00  0.985302D+01  0.217005D+01 -0.954169D+01
      6  -0.606536D+01  0.215538D+01  0.918169D+01  0.655151D+01 -0.120684D+02
               226           227           228           229           230 
      1   0.125476D+02  0.179351D+01 -0.147424D+01 -0.214520D+01  0.203500D+01
      2  -0.408128D+01 -0.771784D+01  0.490519D+00 -0.163912D+01  0.298790D+01
      3  -0.846629D+01  0.592433D+01  0.983719D+00  0.378432D+01 -0.502290D+01
      4  -0.239000D+02  0.108706D+02 -0.437697D+01  0.918074D+01 -0.713188D+01
      5   0.109973D+02 -0.482962D+01  0.457849D+01 -0.250943D+01  0.139405D+01
      6  -0.381922D+01  0.673476D+01 -0.553832D+01  0.155423D+01 -0.268510D-01
               231           232           233           234           235 
      1  -0.123111D+01 -0.111199D+01 -0.347843D+01  0.130542D+01 -0.646440D+00
      2   0.123754D+01 -0.166330D+01  0.617201D+01 -0.330717D+01 -0.221728D+01
      3  -0.643336D-02  0.277530D+01 -0.269358D+01  0.200175D+01  0.286372D+01
      4   0.143012D+01  0.220050D+01 -0.509924D+00 -0.316515D+01 -0.126442D+01
      5  -0.130154D+01  0.229123D+01 -0.657832D+00  0.183601D+01  0.164226D+01
      6   0.129490D+01 -0.264379D+01 -0.611685D+00 -0.564289D+00 -0.246925D+01
               236           237           238           239           240 
      1  -0.295024D+01  0.194021D+01 -0.180465D+01  0.872065D+00 -0.152128D+01
      2   0.285975D+01 -0.625087D+00  0.107798D+01 -0.365565D+01 -0.332268D+01
      3   0.904959D-01 -0.131513D+01  0.726666D+00  0.278359D+01  0.484396D+01
      4   0.248900D+01 -0.308772D+01  0.339478D+00 -0.147326D+00  0.431964D-01
      5  -0.971768D+00  0.516774D+01 -0.113018D+00 -0.114068D+01  0.109955D+01
      6  -0.113214D+01  0.104730D+01 -0.843925D+00  0.402967D+00  0.128650D+01
               241           242           243           244           245 
      1  -0.102851D+01  0.646387D+01 -0.172383D+02  0.297375D+02 -0.205292D+01
      2  -0.332631D+01 -0.381179D+01 -0.194688D+02 -0.183247D+02  0.532808D+01
      3   0.435483D+01 -0.265208D+01  0.367072D+02 -0.114129D+02 -0.327516D+01
      4  -0.388022D+01  0.184510D+00 -0.342747D+01  0.162924D+02  0.651885D+01
      5   0.440896D+01 -0.101042D+01  0.576600D+01  0.136106D+02  0.191153D+01
      6  -0.362030D+01  0.765057D+01 -0.235625D+02  0.102949D+01  0.371796D+01
               246           247           248           249           250 
      1   0.247227D+01 -0.754391D+00  0.452377D+01  0.100948D+01 -0.190085D+01
      2  -0.338807D+01  0.189503D+01 -0.243003D+01 -0.635012D+00 -0.169689D+01
      3   0.915806D+00 -0.114064D+01 -0.209375D+01 -0.374467D+00  0.359774D+01
      4   0.353354D+01  0.176882D+01  0.503884D-01 -0.132828D+01 -0.308008D+01
      5   0.650212D+01 -0.220396D+01 -0.716240D+00 -0.871266D+00  0.302210D+01
      6   0.336900D+01 -0.176386D+00 -0.224537D+01 -0.651272D+00  0.112663D+01
               251           252           253           254           255 
      1   0.264215D+01  0.287278D+01  0.200243D+01  0.315714D+01  0.415358D+01
      2  -0.407104D+01 -0.485908D+01 -0.456391D+01 -0.316067D+01 -0.109646D+01
      3   0.142889D+01  0.198629D+01  0.256149D+01  0.353815D-02 -0.305711D+01
      4  -0.281380D+01  0.595842D+00 -0.311009D+00 -0.790047D+00  0.142989D+01
      5  -0.866119D+00  0.189718D+01  0.201455D+01 -0.871286D+00  0.383853D+01
      6  -0.134632D+01 -0.206682D+00  0.625513D+00 -0.164639D+01 -0.209406D+01
               256           257           258           259           260 
      1   0.920019D+00 -0.167692D+01  0.242388D+00 -0.572376D+00 -0.497787D+01
      2  -0.280427D+00 -0.140394D+01  0.372409D+01 -0.447745D+01  0.420394D+01
      3  -0.639592D+00  0.308086D+01 -0.396648D+01  0.504982D+01  0.773934D+00
      4  -0.127902D+01 -0.843066D+00  0.125510D+00  0.322438D+01  0.273744D+01
      5  -0.155743D+01 -0.759332D+00 -0.216404D+01  0.652640D+01  0.147262D+01
      6  -0.105859D+01  0.109815D+01  0.261378D+01  0.409134D+01  0.553154D+01
               261           262           263           264           265 
      1  -0.151354D+02  0.224673D+02  0.873606D+01 -0.242664D+01  0.137624D+02
      2  -0.215714D+02 -0.123889D+02 -0.588780D+01  0.292999D+01 -0.877275D+01
      3   0.367068D+02 -0.100784D+02 -0.284825D+01 -0.503349D+00 -0.498966D+01
      4   0.163474D+01  0.981281D+01  0.102007D+02 -0.222493D+01  0.670351D+01
      5   0.143660D+02 -0.743511D+01 -0.340320D+01  0.507120D+01 -0.903918D+01
      6   0.195361D+02 -0.376212D+01 -0.362784D+01  0.100693D+01 -0.305093D+01
               266           267           268           269           270 
      1   0.718405D+01 -0.297137D+01  0.534184D+01  0.863926D+00  0.578805D+00
      2  -0.377967D+01  0.382458D+01 -0.162582D+01  0.195635D+00 -0.257915D+01
      3  -0.340438D+01 -0.853210D+00 -0.371602D+01 -0.105956D+01  0.200035D+01
      4   0.125395D+02 -0.275125D+00 -0.298561D+01  0.271421D+01  0.358276D+01
      5  -0.209852D+01  0.525965D+01  0.153679D+01  0.307905D+01 -0.139933D+01
      6  -0.507091D+01  0.797046D+00  0.108775D+01  0.153694D+00 -0.131249D+01
               271           272           273           274           275 
      1  -0.168515D+01  0.486406D+00 -0.386665D+01  0.129440D+01 -0.144563D+01
      2  -0.760285D+00  0.205895D-03 -0.993080D+00 -0.144329D+01 -0.174661D+01
      3   0.244544D+01 -0.486612D+00  0.485973D+01  0.148885D+00  0.319224D+01
      4   0.409131D+01 -0.187466D+00 -0.670544D+00  0.216168D+01 -0.754760D+00
      5   0.464359D+00 -0.129719D+01  0.131561D+01 -0.147267D+01 -0.249301D+01
      6  -0.289844D+00 -0.459516D+00  0.112007D+01 -0.134881D+01  0.893142D+00
               276           277           278           279           280 
      1  -0.879332D+00 -0.151809D+01  0.166548D+00 -0.159547D+02 -0.460487D+01
      2   0.215372D+01  0.598311D+01  0.226742D+01 -0.207566D+02  0.710791D+01
      3  -0.127438D+01 -0.446501D+01 -0.243397D+01  0.367113D+02 -0.250304D+01
      4  -0.267651D+01  0.230527D+01 -0.471075D+01  0.267512D+01  0.906616D+01
      5   0.116100D+01  0.883311D+01  0.105351D+01 -0.232680D+02 -0.404818D+01
      6   0.512996D+01 -0.154864D+01  0.321806D+01  0.679312D+01 -0.110252D+01
               281           282           283           284           285 
      1  -0.883853D+01  0.328258D+01 -0.700562D+01 -0.165933D+02  0.385047D+01
      2   0.128472D+02 -0.250554D+01  0.886957D+01  0.276154D+02 -0.323944D+01
      3  -0.400864D+01 -0.777035D+00 -0.186396D+01 -0.110221D+02 -0.611025D+00
      4   0.410513D+01  0.810915D+00  0.849675D+01  0.657150D+01 -0.135139D+01
      5  -0.201536D+01  0.545796D-01 -0.331766D+01 -0.344124D+01  0.346342D+00
      6  -0.844492D+01  0.458873D+01 -0.294434D+01 -0.943237D+01  0.578354D+01
               286           287           288           289           290 
      1  -0.428349D+00 -0.832393D+00 -0.344262D+01 -0.131538D+01 -0.189945D+01
      2   0.988542D+00  0.467258D+01  0.145913D+01 -0.191318D+01  0.164398D+01
      3  -0.560193D+00 -0.384018D+01  0.198349D+01  0.322856D+01  0.255467D+00
      4   0.301447D+01 -0.341356D+01  0.305025D+01 -0.865285D+00  0.107314D+01
      5  -0.371757D+00  0.829536D+00 -0.112180D+01  0.135914D+01 -0.921621D+00
      6   0.282180D+01  0.204178D+01 -0.153849D+01 -0.193245D+01 -0.196040D+01
               291           292           293           294           295 
      1   0.290104D+01  0.126482D+00 -0.208554D+01 -0.477030D+00  0.275590D+01
      2  -0.976437D+00  0.264992D+00 -0.332953D+00 -0.412962D+01 -0.887460D+00
      3  -0.192460D+01 -0.391474D+00  0.241850D+01  0.460665D+01 -0.186844D+01
      4  -0.214465D+01 -0.891462D+00  0.418271D+01 -0.562843D+00 -0.466919D+01
      5   0.475587D+01 -0.701904D-01 -0.506972D+00  0.155680D+01  0.336479D+01
      6   0.164584D+01 -0.165176D+01 -0.275923D-01  0.169929D+01  0.359747D+00
               296           297           298           299           300 
      1   0.569218D+01 -0.213864D+02 -0.329891D+01  0.382085D+01  0.277940D+00
      2  -0.918553D+00 -0.153045D+02  0.497179D+01 -0.395274D+01  0.203577D+00
      3  -0.477362D+01  0.366908D+02 -0.167288D+01  0.131886D+00 -0.481516D+00
      4   0.260187D+01  0.197656D+01 -0.187838D+01  0.562643D+00 -0.181898D+01
      5  -0.226788D+01  0.972050D+01 -0.257935D+01 -0.121402D+00 -0.844255D+00
      6   0.870115D+01 -0.222309D+02 -0.764410D+00 -0.410617D+01 -0.184014D+01
               301           302           303           304           305 
      1   0.594934D+01 -0.207685D+02 -0.422317D+01 -0.307316D+01 -0.134708D+01
      2  -0.393622D+01  0.325641D+02  0.336858D+01  0.212693D+01 -0.239487D+01
      3  -0.201312D+01 -0.117957D+02  0.854594D+00  0.946229D+00  0.374195D+01
      4   0.572775D+01  0.105838D+02  0.245269D+01 -0.317181D+01 -0.337540D+01
      5   0.319644D+01 -0.296172D+00  0.240807D+01 -0.130668D+01  0.560057D+00
      6   0.491062D+00  0.134488D+02  0.671894D+01 -0.143310D+01  0.299137D+01
               306           307           308           309           310 
      1  -0.489311D+01 -0.890109D+00  0.512568D+00  0.378150D+01 -0.240213D+01
      2   0.289343D+01 -0.225816D+01  0.454005D-01 -0.242996D+00  0.232475D+01
      3   0.199968D+01  0.314827D+01 -0.557969D+00 -0.353850D+01  0.773790D-01
      4  -0.416568D+00 -0.422071D+00 -0.128603D+01  0.469935D+00 -0.148682D+01
      5  -0.436330D+00  0.146466D+01 -0.702074D+00  0.318255D+01 -0.138292D+01
      6   0.187106D+01 -0.215757D+00 -0.198163D+01 -0.224675D+01 -0.138392D+01
               311           312           313           314           315 
      1  -0.467151D+01 -0.873698D+00  0.398751D+01 -0.473049D+01 -0.218691D+02
      2   0.218648D+01  0.445085D+01 -0.410748D+01 -0.347063D+00 -0.148425D+02
      3   0.248503D+01 -0.357716D+01  0.119967D+00  0.507755D+01  0.367116D+02
      4  -0.153309D+01  0.774583D+00  0.345347D+01  0.308448D+01  0.736877D+00
      5   0.615088D-01 -0.220482D+01  0.483720D+01  0.385346D+01  0.175164D+02
      6   0.165837D+01  0.325256D+01  0.125318D+01  0.720676D+01  0.167375D+02
               316           317           318           319           320 
      1   0.662172D+01 -0.346007D+01  0.613521D+00 -0.980295D+01  0.558320D+00
      2  -0.281421D+00 -0.611028D+00 -0.485064D+00  0.359259D+01  0.660303D+01
      3  -0.634030D+01  0.407110D+01 -0.128457D+00  0.621036D+01 -0.716135D+01
      4  -0.943656D+01  0.110096D+02  0.219719D+01  0.113639D+02 -0.225810D+02
      5  -0.147235D+01  0.235392D+01  0.222160D+01  0.779116D+01 -0.395209D+01
      6   0.232774D+01 -0.334945D+01 -0.160625D+01 -0.496355D+01  0.947139D+01
               321           322           323           324           325 
      1   0.167038D+01  0.637430D+01 -0.141864D+01 -0.240963D+01 -0.390205D+01
      2  -0.264630D+01 -0.334106D+01 -0.983810D+00  0.415282D+00  0.122328D+01
      3   0.975920D+00 -0.303324D+01  0.240245D+01  0.199434D+01  0.267877D+01
      4  -0.371667D+01  0.478742D+00  0.214544D+01 -0.365148D+01 -0.123246D+01
      5  -0.583958D+01 -0.134168D+00 -0.295616D+01 -0.788173D+00  0.725674D+00
      6   0.363778D+01 -0.969157D+00  0.181846D+01  0.175145D+01 -0.869716D+00
               326           327           328           329           330 
      1   0.685989D+00 -0.329712D+01  0.185289D+01 -0.148918D+01 -0.208029D+00
      2  -0.138586D+01 -0.167346D+01 -0.191547D+01 -0.147474D+01  0.885237D+00
      3   0.699872D+00  0.497058D+01  0.625795D-01  0.296392D+01 -0.677208D+00
      4   0.719379D+00  0.242632D+00  0.318023D+01 -0.908270D+00 -0.330748D+01
      5  -0.380610D+00  0.107187D+01 -0.545995D+00 -0.284321D+01  0.507073D+00
      6  -0.512720D+00  0.560075D+00 -0.140008D+01  0.108976D+01  0.537195D+01
               331           332           333 
      1  -0.335435D+01 -0.274601D+01 -0.185502D+02
      2   0.654458D+01 -0.122845D+01 -0.181587D+02
      3  -0.319023D+01  0.397446D+01  0.367089D+02
      4  -0.610989D+00 -0.416034D+01 -0.359868D+01
      5   0.818807D+01 -0.312376D+01 -0.240995D+02
      6  -0.513153D+00  0.386861D+01  0.265522D+01
 Leave Link  716 at Thu Jul  8 21:39:46 2021, MaxMem= 10737418240 cpu:               1.9 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.155699D+03 -0.260177D-02 -0.279290D-03
      2  -0.260177D-02  0.155695D+03 -0.299364D-02
      3  -0.279290D-03 -0.299364D-02  0.128198D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.288391D+01  0.413396D-01 -0.300405D-02
      2  -0.149786D-01 -0.286739D+01  0.260993D-02
      3  -0.115371D-01 -0.116892D-01 -0.108108D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.608791D+02  0.910513D+02  0.954561D-02
      2  -0.608949D+02 -0.910491D+02 -0.173309D-01
      3   0.157808D-01 -0.213340D-02  0.778525D-02
      4   0.910327D+02 -0.609211D+02  0.254592D-02
      5  -0.156170D-01  0.572977D+01  0.432275D-02
      6  -0.572498D+01 -0.373515D-01 -0.130910D-01
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=   111 ND12= 1 LenFil=    3999:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.286317D+01 -0.101070D+01 -0.266450D+01 -0.126334D+01 -0.297799D+01
      2  -0.101070D+01 -0.499046D+01  0.111953D+01 -0.297799D+01  0.736643D+01
      3  -0.266450D+01  0.111953D+01  0.821938D+00  0.375026D+00 -0.393245D+01
                 6             7             8             9            10 
      1   0.375026D+00 -0.195675D+01  0.688946D+00  0.996544D+00 -0.143376D+01
      2  -0.393245D+01  0.688946D+00 -0.269758D+01  0.937799D+00  0.388036D+01
      3   0.707037D+00  0.996544D+00  0.937799D+00  0.565657D+00  0.338163D+01
                11            12            13            14            15 
      1   0.388036D+01  0.338163D+01  0.287180D+01  0.397587D+01  0.609135D+00
      2   0.573346D+01  0.135229D+01  0.397587D+01  0.193538D+01  0.321863D+01
      3   0.135229D+01 -0.484488D+00  0.609135D+00  0.321863D+01  0.973748D+00
                16            17            18            19            20 
      1   0.255606D+01  0.752751D+00 -0.559240D+00  0.104244D+01 -0.218003D+01
      2   0.752751D+00  0.210411D+01  0.125416D+01 -0.218003D+01 -0.260870D+01
      3  -0.559240D+00  0.125416D+01 -0.565542D+00 -0.182379D+01 -0.829627D+00
                21            22            23            24            25 
      1  -0.182379D+01 -0.366023D+01 -0.542113D+01 -0.219140D+01 -0.234326D+01
      2  -0.829627D+00 -0.542113D+01 -0.638561D+01 -0.463424D+01 -0.140333D+01
      3  -0.105638D+01 -0.219140D+01 -0.463424D+01 -0.202776D+01 -0.144936D+01
                26            27            28            29            30 
      1  -0.140333D+01 -0.144936D+01 -0.127005D+01 -0.186740D+01 -0.464553D-02
      2  -0.275439D+01 -0.177653D+01 -0.186740D+01  0.124139D+01 -0.188871D+01
      3  -0.177653D+01  0.182051D+01 -0.464553D-02 -0.188871D+01 -0.337867D-02
                31            32            33            34            35 
      1  -0.188631D+01  0.126867D+01  0.190064D+01  0.175798D-01 -0.663125D-02
      2   0.126867D+01  0.189569D+01 -0.116970D-01 -0.663125D-02  0.157384D-01
      3   0.190064D+01 -0.116970D-01  0.279849D-02 -0.606083D-03  0.280260D-04
                36            37            38            39            40 
      1  -0.606083D-03 -0.198144D+01  0.867581D+00  0.116672D+01  0.580692D+00
      2   0.280260D-04  0.867581D+00 -0.425889D+00  0.607042D+00  0.273965D+01
      3   0.399961D-02  0.116672D+01  0.607042D+00  0.198120D+00 -0.754171D+00
                41            42            43            44            45 
      1   0.273965D+01 -0.754171D+00  0.140950D+01 -0.847366D+00  0.659884D+00
      2  -0.104520D+02  0.529325D+01 -0.847366D+00  0.367471D+01 -0.219691D+01
      3   0.529325D+01 -0.227415D+01  0.659884D+00 -0.219691D+01 -0.182402D+01
                46            47            48            49            50 
      1   0.464242D+01  0.519386D+01  0.419678D+01  0.261626D+01  0.328625D+01
      2   0.519386D+01  0.511846D+01  0.250096D+01  0.328625D+01  0.246418D+00
      3   0.419678D+01  0.250096D+01  0.187117D+01  0.114410D+01  0.225778D+01
                51            52            53            54            55 
      1   0.114410D+01  0.238773D+01  0.140592D+01  0.157667D+01 -0.319981D+00
      2   0.225778D+01  0.140592D+01  0.271272D+01  0.167654D+01 -0.306927D+01
      3   0.131833D+01  0.157667D+01  0.167654D+01 -0.181851D+01 -0.296533D+01
                56            57            58            59            60 
      1  -0.306927D+01 -0.296533D+01 -0.468824D+01 -0.512138D+01 -0.129744D+01
      2  -0.389128D+01 -0.549792D+00 -0.512138D+01 -0.199471D+00 -0.362903D+01
      3  -0.549792D+00 -0.102350D+01 -0.129744D+01 -0.362903D+01  0.352400D+00
                61            62            63            64            65 
      1  -0.191332D+01 -0.666374D+00 -0.131402D+01 -0.851080D+01  0.148805D+01
      2  -0.666374D+00 -0.273976D+01  0.390190D+00  0.148805D+01  0.219512D+01
      3  -0.131402D+01  0.390190D+00  0.566633D+00  0.410672D+01 -0.187346D+00
                66            67            68            69            70 
      1   0.410672D+01  0.352242D+01  0.220521D+01 -0.933983D+00  0.286518D+01
      2  -0.187346D+00  0.220521D+01 -0.219804D+01  0.249038D+01 -0.572570D+00
      3  -0.600677D+00 -0.933983D+00  0.249038D+01 -0.903102D+00 -0.805244D+00
                71            72            73            74            75 
      1  -0.572570D+00 -0.805244D+00  0.108084D+02 -0.107740D+01 -0.524547D+01
      2   0.179095D+01 -0.111040D+01 -0.107740D+01 -0.131278D+01  0.214534D+00
      3  -0.111040D+01 -0.567833D+00 -0.524547D+01  0.214534D+00  0.228851D+01
                76            77            78            79            80 
      1   0.208328D+01 -0.119413D+01 -0.114124D+01 -0.386309D+01  0.526551D+00
      2  -0.119413D+01  0.156178D+01 -0.121473D+01  0.526551D+00 -0.122846D+01
      3  -0.114124D+01 -0.121473D+01  0.918335D-01  0.226793D+01 -0.368501D+00
                81            82            83            84            85 
      1   0.226793D+01 -0.960530D+00  0.203362D+01 -0.262407D+01  0.354034D+00
      2  -0.368501D+00  0.203362D+01 -0.694476D+01  0.264952D+01 -0.426816D+01
      3   0.182323D+01 -0.262407D+01  0.264952D+01 -0.122973D+01  0.129300D+01
                86            87            88            89            90 
      1  -0.426816D+01  0.129300D+01 -0.144416D+01  0.878763D+00 -0.819277D+00
      2   0.605086D+01 -0.383934D+01  0.878763D+00 -0.367578D+01  0.214147D+01
      3  -0.383934D+01  0.192682D+01 -0.819277D+00  0.214147D+01  0.182435D+01
                91            92            93            94            95 
      1  -0.138731D+01  0.114033D+01  0.240984D+01  0.124941D+00  0.516566D+01
      2   0.114033D+01  0.341669D+01 -0.499420D-01  0.516566D+01 -0.626041D+01
      3   0.240984D+01 -0.499420D-01  0.109131D+01 -0.792723D+00  0.419027D+01
                96            97            98            99           100 
      1  -0.792723D+00  0.156192D+01 -0.176449D+00  0.136674D+01  0.781572D+01
      2   0.419027D+01 -0.176449D+00  0.309192D+01 -0.136589D+00 -0.388950D+01
      3  -0.636497D-01  0.136674D+01 -0.136589D+00 -0.571475D+00 -0.426191D+01
               101           102           103           104           105 
      1  -0.388950D+01 -0.426191D+01 -0.201919D+01 -0.226153D+01 -0.201449D+00
      2  -0.147995D+01  0.546587D+00 -0.226153D+01  0.813182D+00 -0.232870D+01
      3   0.546587D+00  0.202655D+00 -0.201449D+00 -0.232870D+01 -0.106559D+01
               106           107           108           109           110 
      1  -0.310854D+01 -0.282632D-01  0.318437D+00 -0.793843D+01  0.349939D+01
      2  -0.282632D-01 -0.153956D+01 -0.133639D+01  0.349939D+01  0.596209D+00
      3   0.318437D+00 -0.133639D+01  0.568895D+00  0.432497D+01 -0.107358D+01
               111           112           113           114           115 
      1   0.432497D+01  0.638366D+01 -0.743434D+00 -0.243064D+01  0.382988D+01
      2  -0.107358D+01 -0.743434D+00  0.629997D+00  0.213375D+01 -0.551721D+00
      3  -0.207380D+01 -0.243064D+01  0.213375D+01  0.961423D+00 -0.223835D+01
               116           117           118           119           120 
      1  -0.551721D+00 -0.223835D+01  0.118993D+02  0.176436D+00 -0.324581D+01
      2   0.123062D+01  0.525832D+00  0.176436D+00  0.976048D+00  0.379418D-02
      3   0.525832D+00 -0.182562D+01 -0.324581D+01  0.379418D-02  0.211837D+01
               121           122           123           124           125 
      1  -0.243824D+01  0.114648D+01  0.907516D+00 -0.327979D+01 -0.227457D-01
      2   0.114648D+01  0.152497D+00 -0.747157D+00 -0.227457D-01 -0.470794D+00
      3   0.907516D+00 -0.747157D+00 -0.258878D+00  0.260596D+01  0.202593D+00
               126           127           128           129           130 
      1   0.260596D+01  0.216632D+00  0.638821D+00 -0.923576D+00  0.112900D+01
      2   0.202593D+00  0.638821D+00 -0.705441D+00  0.246865D+00  0.503843D+00
      3  -0.154977D+01 -0.923576D+00  0.246865D+00 -0.343050D+00 -0.197070D+00
               131           132           133           134           135 
      1   0.503843D+00 -0.197070D+00 -0.135269D+01 -0.383946D+00  0.449443D+00
      2   0.474935D+01 -0.225242D+01 -0.383946D+00 -0.183688D+01  0.172120D+01
      3  -0.225242D+01  0.232282D+01  0.449443D+00  0.172120D+01 -0.222138D+01
               136           137           138           139           140 
      1   0.613803D+01  0.320582D+01  0.187836D+01  0.517843D+01  0.441134D+01
      2   0.320582D+01  0.268383D+01  0.872110D+00  0.441134D+01  0.447355D+01
      3   0.187836D+01  0.872110D+00  0.152213D+01  0.177595D+01  0.211185D+01
               141           142           143           144           145 
      1   0.177595D+01  0.225973D+01  0.134918D+01  0.218942D+01  0.220624D+01
      2   0.211185D+01  0.134918D+01  0.148775D+01  0.142448D+01 -0.920175D+00
      3   0.149415D+01  0.218942D+01  0.142448D+01  0.154884D+01  0.139481D+01
               146           147           148           149           150 
      1  -0.920175D+00  0.139481D+01 -0.204841D+01  0.166216D+01 -0.857121D+00
      2   0.100572D+01 -0.412547D+00  0.166216D+01 -0.291346D+01  0.178413D+01
      3  -0.412547D+00  0.114509D+01 -0.857121D+00  0.178413D+01 -0.205050D+01
               151           152           153           154           155 
      1   0.190668D+01 -0.333324D+00  0.140493D+01 -0.236562D+01  0.193923D+01
      2  -0.333324D+00  0.128759D+01 -0.109194D+01  0.193923D+01 -0.210147D+01
      3   0.140493D+01 -0.109194D+01  0.222014D+01 -0.978164D+00  0.403667D+00
               156           157           158           159           160 
      1  -0.978164D+00  0.309730D+01 -0.445077D+01  0.130719D+01 -0.119328D+01
      2   0.403667D+00 -0.445077D+01  0.920176D+01 -0.301691D+01  0.122780D+01
      3  -0.836111D+00  0.130719D+01 -0.301691D+01  0.196382D+01 -0.147912D+01
               161           162           163           164           165 
      1   0.122780D+01 -0.147912D+01 -0.374797D+01 -0.778196D+00 -0.190021D+01
      2  -0.255765D+01  0.215558D+01 -0.778196D+00 -0.110432D+01 -0.365544D+00
      3   0.215558D+01 -0.155078D+01 -0.190021D+01 -0.365544D+00 -0.184216D+01
               166           167           168           169           170 
      1  -0.206604D+01 -0.128459D+01 -0.808885D+00 -0.205088D+01 -0.175714D-01
      2  -0.128459D+01 -0.128534D+01 -0.128117D+01 -0.175714D-01 -0.114387D+01
      3  -0.808885D+00 -0.128117D+01 -0.145827D+01 -0.171718D+01 -0.472569D+00
               171           172           173           174           175 
      1  -0.171718D+01 -0.104994D+02  0.372106D+01  0.319903D+01  0.123661D+01
      2  -0.472569D+00  0.372106D+01 -0.227041D+01 -0.101171D+01 -0.142588D+01
      3  -0.222575D+01  0.319903D+01 -0.101171D+01 -0.205391D+01 -0.107351D+00
               176           177           178           179           180 
      1  -0.142588D+01 -0.107351D+00  0.284980D+01 -0.100777D+01 -0.232839D+01
      2   0.157102D+01  0.788615D+00 -0.100777D+01  0.897136D+00  0.118332D+01
      3   0.788615D+00  0.570990D+00 -0.232839D+01  0.118332D+01  0.154693D+01
               181           182           183           184           185 
      1   0.831417D+00  0.107487D+01  0.113563D+01  0.107774D+01  0.547610D+00
      2   0.107487D+01  0.185643D+01  0.708570D+00  0.547610D+00  0.419592D+01
      3   0.113563D+01  0.708570D+00  0.120229D+01  0.262458D+00  0.204365D+01
               186           187           188           189           190 
      1   0.262458D+00  0.115659D+01 -0.103189D+00  0.242356D+00 -0.306786D+01
      2   0.204365D+01 -0.103189D+00  0.204442D+01  0.176297D+01 -0.378954D+01
      3   0.201877D+01  0.242356D+00  0.176297D+01  0.222278D+01 -0.176733D+01
               191           192           193           194           195 
      1  -0.378954D+01 -0.176733D+01 -0.233413D+01 -0.317277D+01 -0.858611D+00
      2  -0.535033D+01 -0.176225D+01 -0.317277D+01 -0.767321D+01 -0.222712D+01
      3  -0.176225D+01 -0.128429D+01 -0.858611D+00 -0.222712D+01 -0.170559D+01
               196           197           198           199           200 
      1  -0.115375D+01 -0.120545D+01 -0.112779D+01  0.346681D+01 -0.161411D+01
      2  -0.120545D+01 -0.259763D+01 -0.235775D+01 -0.161411D+01  0.187244D+01
      3  -0.112779D+01 -0.235775D+01 -0.155013D+01 -0.194241D+01  0.785370D+00
               201           202           203           204           205 
      1  -0.194241D+01 -0.814755D+00  0.839004D+00  0.340514D+00 -0.138564D+01
      2   0.785370D+00  0.839004D+00 -0.170762D+01 -0.123532D+01  0.401490D+00
      3   0.218309D+01  0.340514D+00 -0.123532D+01 -0.866517D+00  0.126609D+01
               206           207           208           209           210 
      1   0.401490D+00  0.126609D+01  0.332346D+00 -0.159190D+01  0.906116D+00
      2  -0.181047D+01 -0.125140D+01 -0.159190D+01  0.361355D+01 -0.121380D+01
      3  -0.125140D+01 -0.222439D+01  0.906116D+00 -0.121380D+01  0.531966D+00
               211           212           213           214           215 
      1  -0.108233D+01  0.104207D+01 -0.310699D+00  0.511973D+00 -0.339952D+00
      2   0.104207D+01 -0.113887D+02  0.308244D+01 -0.339952D+00  0.323516D+01
      3  -0.310699D+00  0.308244D+01 -0.206406D+01  0.138519D+00 -0.260731D+01
               216           217           218           219           220 
      1   0.138519D+00 -0.463621D+01 -0.884729D+00  0.223797D+01  0.246631D+00
      2  -0.260731D+01 -0.884729D+00 -0.127181D+01  0.371724D+00 -0.621519D+00
      3   0.154698D+01  0.223797D+01  0.371724D+00 -0.234976D+01 -0.733173D-01
               221           222           223           224           225 
      1  -0.621519D+00 -0.733173D-01  0.173392D+01  0.435806D+00 -0.164884D+01
      2  -0.551321D+00  0.942334D+00  0.435806D+00  0.146876D+01 -0.671168D+00
      3   0.942334D+00  0.340162D-01 -0.164884D+01 -0.671168D+00  0.222329D+01
               226           227           228           229           230 
      1   0.532790D+01 -0.179171D+01  0.828029D+00 -0.193101D+01  0.102692D+01
      2  -0.179171D+01  0.340134D+01 -0.125594D+01  0.102692D+01 -0.509801D+00
      3   0.828029D+00 -0.125594D+01  0.135260D+01 -0.178141D+00 -0.533259D+00
               231           232           233           234           235 
      1  -0.178141D+00 -0.117384D-01  0.111811D+00  0.591187D+00  0.640820D+00
      2  -0.533259D+00  0.111811D+00 -0.191230D+01  0.447573D+00 -0.393693D+00
      3  -0.121291D+00  0.591187D+00  0.447573D+00  0.255040D+00  0.705114D+00
               236           237           238           239           240 
      1  -0.393693D+00  0.705114D+00 -0.472071D+00 -0.432638D+00  0.228849D+00
      2  -0.948666D+00  0.293830D+00 -0.432638D+00  0.127373D+01 -0.133509D+00
      3   0.293830D+00 -0.209255D+00  0.228849D+00 -0.133509D+00  0.715085D+00
               241           242           243           244           245 
      1   0.100811D+01 -0.707697D-01  0.101670D+01 -0.676802D+01 -0.618045D+00
      2  -0.707697D-01  0.206792D+01 -0.119381D+01 -0.618045D+00 -0.223268D+01
      3   0.101670D+01 -0.119381D+01  0.739793D+01 -0.113178D+01 -0.561631D+00
               246           247           248           249           250 
      1  -0.113178D+01  0.155223D+00  0.203336D-01  0.515256D+00  0.374028D+00
      2  -0.561631D+00  0.203336D-01  0.936521D+00  0.842773D+00  0.754131D+00
      3  -0.129528D+01  0.515256D+00  0.842773D+00  0.408292D+00 -0.373186D+00
               251           252           253           254           255 
      1   0.754131D+00 -0.373186D+00 -0.600855D+00  0.616333D+00 -0.396328D+00
      2   0.155852D+01  0.641587D+00  0.616333D+00  0.118932D+01  0.513762D+00
      3   0.641587D+00 -0.249276D+00 -0.396328D+00  0.513762D+00  0.464582D+00
               256           257           258           259           260 
      1   0.345604D+00  0.744544D+00  0.449983D+00 -0.121352D+01 -0.424032D+00
      2   0.744544D+00  0.271717D+00 -0.172775D+00 -0.424032D+00 -0.186121D+01
      3   0.449983D+00 -0.172775D+00  0.580462D+00 -0.139926D+01 -0.711446D+00
               261           262           263           264           265 
      1  -0.139926D+01 -0.422774D+01 -0.184039D+01  0.429054D+00 -0.383131D+01
      2  -0.711446D+00 -0.184039D+01 -0.223751D+01  0.409675D+00 -0.931920D+00
      3  -0.739710D+01  0.429054D+00  0.409675D+00 -0.780114D+00  0.148750D+01
               266           267           268           269           270 
      1  -0.931920D+00  0.148750D+01 -0.153752D+01  0.768641D+00  0.923914D-01
      2  -0.252481D+01 -0.131081D+00  0.768641D+00 -0.392881D+00 -0.735558D+00
      3  -0.131081D+00 -0.111323D+01  0.923914D-01 -0.735558D+00  0.254226D+00
               271           272           273           274           275 
      1   0.115512D+01 -0.908817D+00 -0.151181D+00 -0.420626D+00 -0.498073D+00
      2  -0.908817D+00 -0.306954D+00  0.265122D+00 -0.498073D+00  0.290002D+00
      3  -0.151181D+00  0.265122D+00  0.727268D+00  0.198557D+00  0.721557D+00
               276           277           278           279           280 
      1   0.198557D+00  0.186270D+01 -0.422314D+00 -0.153985D+01  0.203864D+01
      2   0.721557D+00 -0.422314D+00  0.121059D+01 -0.280817D+00  0.525858D+00
      3  -0.174182D+00 -0.153985D+01 -0.280817D+00  0.739739D+01  0.368765D+00
               281           282           283           284           285 
      1   0.525858D+00  0.368765D+00  0.207794D+01  0.160690D+01 -0.303051D+00
      2   0.340562D+01 -0.137923D+01  0.160690D+01  0.516250D+01 -0.655747D+00
      3  -0.137923D+01  0.100082D+01 -0.303051D+00 -0.655747D+00  0.915783D+00
               286           287           288           289           290 
      1   0.609664D+00 -0.889366D+00  0.742086D+00 -0.405840D+00  0.245676D+00
      2  -0.889366D+00  0.132816D+01  0.239895D-02  0.245676D+00  0.655223D+00
      3   0.742086D+00  0.239895D-02 -0.249686D+00 -0.646691D+00 -0.307317D+00
               291           292           293           294           295 
      1  -0.646691D+00 -0.401747D-02  0.110873D+01 -0.369746D+00 -0.133191D+01
      2  -0.307317D+00  0.110873D+01 -0.813821D+00  0.746381D-01  0.491978D+00
      3   0.275004D+00 -0.369746D+00  0.746381D-01 -0.687957D+00  0.858087D-01
               296           297           298           299           300 
      1   0.491978D+00  0.858087D-01 -0.119396D+01 -0.117753D+00 -0.812435D+00
      2  -0.174491D+01  0.157046D+01 -0.117753D+00 -0.106883D+01 -0.772015D+00
      3   0.157046D+01 -0.739663D+01 -0.812435D+00 -0.772015D+00 -0.573691D+00
               301           302           303           304           305 
      1   0.200566D+01  0.161146D-02  0.307665D+00 -0.134257D+01 -0.881054D+00
      2   0.161146D-02  0.676582D+01  0.111148D+01 -0.881054D+00 -0.579356D+00
      3   0.307665D+00  0.111148D+01  0.123243D+01 -0.683302D+00  0.286627D+00
               306           307           308           309           310 
      1  -0.683302D+00  0.425909D-01 -0.596202D+00  0.300446D+00 -0.100729D+01
      2   0.286627D+00 -0.596202D+00 -0.588318D+00 -0.461977D+00 -0.913418D+00
      3   0.254449D+00  0.300446D+00 -0.461977D+00 -0.516568D+00 -0.527576D+00
               311           312           313           314           315 
      1  -0.913418D+00 -0.527576D+00  0.173979D+01  0.492600D+00  0.524706D+00
      2   0.332706D+00  0.266849D+00  0.492600D+00  0.133326D+01  0.147183D+01
      3   0.266849D+00 -0.544981D+00  0.524706D+00  0.147183D+01  0.739768D+01
               316           317           318           319           320 
      1   0.129586D+01 -0.142360D+01  0.327281D+00 -0.375562D+01  0.180918D+01
      2  -0.142360D+01  0.225997D+01  0.328879D+00  0.180918D+01 -0.457812D+01
      3   0.327281D+00  0.328879D+00  0.294777D+00  0.140683D+01 -0.620726D+00
               321           322           323           324           325 
      1   0.140683D+01  0.190869D+01  0.135620D+00 -0.367634D+00 -0.144804D+01
      2  -0.620726D+00  0.135620D+00  0.121231D-01 -0.644680D+00  0.115882D+00
      3  -0.132558D+01 -0.367634D+00 -0.644680D+00 -0.253373D+00  0.188355D+00
               326           327           328           329           330 
      1   0.115882D+00  0.188355D+00  0.635928D+00  0.607300D+00 -0.175543D+00
      2   0.619732D+00 -0.110872D+00  0.607300D+00 -0.435102D+00 -0.757011D+00
      3  -0.110872D+00 -0.735554D+00 -0.175543D+00 -0.757011D+00  0.114292D+00
               331           332           333 
      1  -0.206712D+01 -0.677988D-01  0.131483D+01
      2  -0.677988D-01 -0.100867D+01 -0.852859D+00
      3   0.131483D+01 -0.852859D+00 -0.739769D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.113077D+02 -0.621157D+01  0.547373D+01 -0.519900D+01 -0.321579D-01
      2   0.337322D+00  0.266354D+01  0.336487D+01  0.170044D+01  0.219498D+01
      3  -0.924367D+01  0.213927D+01  0.956824D+01  0.610373D+01  0.764596D+01
                 6             7             8             9            10 
      1  -0.900522D+01 -0.221167D+00 -0.249695D+01  0.342592D+00  0.483595D+01
      2   0.948710D+00  0.558714D+00 -0.338929D+00 -0.559418D+00 -0.302109D+01
      3   0.136789D+01  0.102658D+02  0.189994D+01 -0.335694D+01  0.968756D+01
                11            12            13            14            15 
      1  -0.837098D+01 -0.680632D+01 -0.709113D+01  0.664851D+01 -0.658209D+01
      2   0.200160D+01  0.579804D+01  0.250303D+01  0.100901D+01  0.375083D+00
      3  -0.504119D+01 -0.832056D+01 -0.104827D+01 -0.808347D+01  0.492622D+01
                16            17            18            19            20 
      1  -0.446310D+00 -0.215558D+01 -0.546058D+00  0.407741D+00 -0.114695D+01
      2   0.885672D+00  0.998792D+00 -0.393091D+00  0.189346D+02  0.131313D+02
      3  -0.875469D+01  0.568041D+01  0.336140D+01 -0.210091D+02 -0.171918D+02
                21            22            23            24            25 
      1   0.312029D+01 -0.959211D+00 -0.149844D+02  0.221201D+01  0.108233D+02
      2   0.859824D+01  0.418687D+01 -0.638367D+00 -0.304342D+01 -0.969348D+01
      3  -0.832040D+01  0.635144D+00  0.137341D+02  0.196435D+01 -0.292603D+01
                26            27            28            29            30 
      1   0.181426D+02  0.179715D+02  0.212971D+01  0.336205D+01  0.403751D-01
      2  -0.114100D+02 -0.163776D+02  0.298944D+01 -0.212143D+01 -0.821726D+00
      3   0.247771D+01 -0.679065D+00 -0.116013D+00 -0.641116D+00 -0.288211D-01
                31            32            33            34            35 
      1   0.311652D+01 -0.218638D+01  0.837660D+00  0.175267D+00  0.136477D+01
      2  -0.213520D+01 -0.321653D+01  0.692689D-01 -0.110750D+01 -0.189030D-01
      3   0.585353D+00  0.618965D-02  0.139912D+00  0.997822D-01  0.933621D-01
                36            37            38            39            40 
      1  -0.856590D-01  0.483086D+01 -0.244007D+01  0.158770D+01  0.110492D+01
      2  -0.222011D+00  0.878609D+01 -0.179050D+02  0.917891D+01 -0.974539D+01
      3  -0.119921D+00  0.100737D+02 -0.270503D+02  0.843427D+01 -0.927198D+01
                41            42            43            44            45 
      1   0.155450D+02  0.286358D+01 -0.460563D+01  0.248230D+02 -0.228928D+02
      2   0.258175D+01 -0.169160D+01 -0.308393D+01  0.514414D+01 -0.820720D+01
      3  -0.267147D+01 -0.137632D+01  0.366265D+01  0.115637D+01  0.712362D+00
                46            47            48            49            50 
      1   0.610220D+00 -0.172806D+01  0.431222D+01 -0.106193D+02 -0.206625D+02
      2   0.146448D+02  0.273277D+01 -0.120557D+01  0.171371D+01 -0.261123D+01
      3  -0.152166D+02 -0.540571D+01 -0.302842D+01  0.124648D+02  0.225007D+02
                51            52            53            54            55 
      1  -0.766121D+01  0.121336D+02  0.127356D+02  0.185590D+02  0.761047D+00
      2  -0.435689D+01 -0.152417D+02 -0.115675D+02 -0.156784D+02 -0.855474D+01
      3   0.800461D+01 -0.279733D+01  0.257040D+01  0.680272D+00  0.698500D+01
                56            57            58            59            60 
      1  -0.378473D+01 -0.372289D+00 -0.345520D+01  0.270865D+01 -0.673844D+01
      2   0.614923D+01  0.563412D+01  0.749192D+01 -0.251957D+01  0.678746D+01
      3   0.327232D+01 -0.596244D+01  0.726287D+01 -0.858148D+01  0.759176D+01
                61            62            63            64            65 
      1  -0.114559D+01 -0.108745D+01  0.311048D+00 -0.141381D+01 -0.230010D+01
      2   0.194426D+01  0.588584D+00  0.597389D+00 -0.142775D+01  0.327055D+01
      3  -0.677206D+01  0.792808D+01 -0.336274D+01 -0.626966D+01 -0.814881D+01
                66            67            68            69            70 
      1  -0.173629D+01 -0.340492D+01 -0.255340D+01 -0.288661D+01  0.747517D-01
      2   0.947880D+01  0.415575D+01  0.123393D+02 -0.466442D+01  0.246803D+01
      3  -0.108761D+00 -0.416661D+01  0.788892D+01 -0.964805D+01 -0.554447D+00
                71            72            73            74            75 
      1  -0.576028D+00  0.610719D+00 -0.412738D+01  0.103113D+02  0.310340D+01
      2   0.463038D+00 -0.280844D+00 -0.161783D+02 -0.115270D+01 -0.220610D+01
      3  -0.104117D+02  0.337600D+01 -0.205883D+01  0.102792D+02  0.238738D+01
                76            77            78            79            80 
      1   0.179713D+02 -0.435459D+01 -0.856099D+01 -0.215693D+01  0.215316D+01
      2   0.331934D+01 -0.542138D+01 -0.314821D+01 -0.257859D+02  0.149103D+01
      3   0.280594D+02 -0.509454D+01 -0.821417D+01 -0.660711D+00 -0.384680D+01
                81            82            83            84            85 
      1   0.525804D+01  0.231336D+01  0.381981D+01 -0.616403D+01 -0.390384D+01
      2   0.238167D+02  0.104738D+02 -0.104645D+02  0.316655D+01 -0.611108D+01
      3  -0.634875D+00  0.122569D+02 -0.197451D+02  0.587555D+01 -0.196853D+01
                86            87            88            89            90 
      1   0.208404D+02 -0.321400D+01 -0.953827D+01  0.214809D+02 -0.231710D+02
      2  -0.703916D+01  0.621948D+01 -0.644116D+01  0.897535D+01 -0.736519D+01
      3  -0.194880D+02  0.621654D+01  0.357776D+01  0.130438D+01 -0.699858D+00
                91            92            93            94            95 
      1  -0.809425D+01 -0.394713D+01 -0.107861D+01 -0.413569D+01  0.658285D+00
      2  -0.101313D+02 -0.597282D+00  0.326958D+01 -0.194344D+01  0.128313D+01
      3  -0.987530D+00  0.717396D+01  0.842783D+01  0.111831D+02  0.264888D+01
                96            97            98            99           100 
      1  -0.911482D+01  0.116525D+01 -0.183077D+01 -0.612796D-01 -0.119531D+01
      2  -0.536410D+01  0.117586D+01 -0.635809D+00  0.684029D+00 -0.174074D+01
      3   0.471942D+01  0.927967D+01  0.475376D+01  0.338611D+01 -0.147290D+00
               101           102           103           104           105 
      1   0.346617D-01  0.453132D+01 -0.131235D+01  0.902687D+01 -0.279286D+01
      2   0.288988D+01  0.957333D+01  0.249505D+01  0.102769D+02  0.191661D+01
      3  -0.113650D+02 -0.358060D+01 -0.740671D+01 -0.146802D+01 -0.895194D+01
               106           107           108           109           110 
      1   0.545697D+00 -0.982512D+00 -0.685595D+00  0.720385D+01  0.785888D+01
      2   0.207618D+01 -0.107957D+01 -0.456967D-01 -0.196986D+02  0.253783D+01
      3  -0.345402D+01 -0.984626D+01 -0.338111D+01  0.161951D+02  0.570352D+01
               111           112           113           114           115 
      1  -0.607493D+01  0.132145D+02 -0.760818D+01 -0.482251D+01 -0.676361D+01
      2   0.160494D+01 -0.456513D+01 -0.362106D+01  0.596762D+01 -0.236617D+02
      3  -0.540825D+01  0.235926D+02 -0.888852D+01 -0.670115D+01 -0.934973D+00
               116           117           118           119           120 
      1   0.432643D+01  0.436989D+01  0.121889D+01 -0.166790D+01 -0.187101D+01
      2   0.733198D+01  0.240249D+02  0.287891D+01  0.102319D+01  0.564723D+01
      3  -0.380955D+01  0.705526D+00  0.704874D+01 -0.554475D+01 -0.298010D+01
               121           122           123           124           125 
      1  -0.214866D+00  0.108126D+01 -0.332089D+00 -0.132089D+01  0.138697D+01
      2  -0.346851D+01 -0.188067D+01  0.592962D+00  0.260419D+01 -0.300574D+00
      3  -0.212130D+01  0.179373D+01  0.246255D+01 -0.767642D+00  0.299782D+01
               126           127           128           129           130 
      1   0.774573D+00  0.758054D+00  0.106207D+01  0.726488D+00 -0.155961D+00
      2  -0.262756D+01 -0.445559D+01  0.150286D+01 -0.228707D+01  0.890178D+00
      3   0.102604D+01 -0.337367D+01  0.341857D+01 -0.201113D+01  0.268293D+01
               131           132           133           134           135 
      1  -0.314560D+01 -0.190763D+01 -0.119937D+00  0.123008D+01  0.884912D+00
      2  -0.691435D+01  0.769005D+01 -0.198698D+01  0.541068D+01 -0.644623D+01
      3  -0.151805D+02  0.724418D+01 -0.518024D+00  0.581290D+01 -0.578149D+01
               136           137           138           139           140 
      1   0.168896D+00  0.104769D+01 -0.160656D+01  0.263268D+01  0.226936D+01
      2   0.204278D+00  0.338034D+00  0.486684D+01 -0.411177D+01  0.399054D+00
      3  -0.140811D+01 -0.524373D+01 -0.866991D+00 -0.182740D+01 -0.745472D+01
               141           142           143           144           145 
      1  -0.111059D+01 -0.979268D+00  0.404105D+00 -0.980785D+00 -0.275545D+01
      2   0.288494D+01  0.161730D+01  0.260504D+01  0.255450D+01  0.317865D+01
      3  -0.376816D+01  0.120934D+01 -0.284823D+01 -0.103020D+01  0.478621D+01
               146           147           148           149           150 
      1   0.129141D+01 -0.127281D+01  0.260735D+01 -0.604527D+01  0.301101D+01
      2   0.241447D+00  0.264577D+01  0.511482D+00  0.438459D+01 -0.713431D+01
      3  -0.458717D+01  0.281775D+01 -0.529001D+01  0.137465D+02 -0.697642D+01
               151           152           153           154           155 
      1  -0.155723D+01  0.418657D+01 -0.321654D+01  0.135587D+01 -0.524465D+00
      2   0.977062D+00 -0.372700D+01  0.564980D+01  0.112370D+01 -0.660874D+00
      3   0.311861D+01 -0.494436D+01  0.577807D+01 -0.217891D+00 -0.206073D+01
               156           157           158           159           160 
      1   0.227534D+01  0.263515D+01 -0.338006D+01 -0.324956D+01  0.117592D+01
      2   0.272627D+01  0.284399D+01  0.348902D+00 -0.355408D+01  0.531022D-01
      3  -0.643794D+00  0.136497D+01  0.903944D+01 -0.381002D+01 -0.221532D+01
               161           162           163           164           165 
      1  -0.117090D+01  0.189378D+01  0.545209D+01  0.184960D+01  0.413511D+01
      2  -0.279759D+01  0.198976D+01  0.109309D+01 -0.455898D+00  0.388482D+01
      3  -0.216580D+01  0.102658D+01 -0.958393D+01 -0.629479D+01 -0.527290D+01
               166           167           168           169           170 
      1   0.296966D+01  0.558205D+01  0.425992D+01  0.370521D+01  0.420315D+01
      2  -0.119655D+01  0.251964D+01  0.427600D+01  0.977661D+00  0.159307D+01
      3  -0.699902D+01 -0.894341D+01 -0.536220D+01 -0.478018D+01 -0.336367D+01
               171           172           173           174           175 
      1   0.515238D+01 -0.553127D+00 -0.241699D+01  0.338389D+01  0.652533D+00
      2   0.400409D+01  0.353638D+01 -0.232140D+01  0.399486D+01  0.128261D+01
      3  -0.579127D+01 -0.900555D+01 -0.256394D+01  0.369488D+01  0.862984D+00
               176           177           178           179           180 
      1  -0.118832D+01 -0.198462D+01  0.258248D+01  0.438745D+00 -0.171624D+01
      2  -0.172667D+01 -0.211518D+01  0.165464D+01 -0.958095D+00 -0.212164D+01
      3   0.139799D+00  0.112941D+01  0.185900D+01  0.247333D+01 -0.102772D+01
               181           182           183           184           185 
      1  -0.203152D+01  0.134484D+01 -0.320838D+01  0.457094D+00 -0.909012D-01
      2  -0.528287D+01 -0.276291D+01 -0.413187D+01 -0.175555D+01 -0.614410D+01
      3   0.724019D+01  0.671735D+01  0.463613D+01  0.602811D+01  0.113040D+02
               186           187           188           189           190 
      1  -0.378548D+01 -0.957105D+00 -0.608029D+00 -0.330091D+01 -0.648160D+00
      2  -0.519873D+01 -0.383775D+01 -0.433726D+01 -0.562069D+01 -0.185568D+01
      3   0.593496D+01  0.272662D+01  0.518219D+01  0.578139D+01  0.642771D+01
               191           192           193           194           195 
      1   0.436005D+01 -0.232567D+01 -0.258424D+00  0.368081D+00 -0.538546D+01
      2  -0.228899D+01  0.594712D+00 -0.130217D+01 -0.635933D+00  0.104638D+01
      3   0.247941D+01  0.362379D+01  0.590376D+01  0.241421D+01  0.134986D+01
               196           197           198           199           200 
      1  -0.228356D+01 -0.204355D+01 -0.266155D+01 -0.508565D+01 -0.371628D+00
      2  -0.831217D+00  0.662302D+00  0.641496D+00  0.590957D+01 -0.217112D+01
      3   0.298203D+01 -0.832360D+00  0.102589D+01 -0.148888D+02  0.394212D+01
               201           202           203           204           205 
      1   0.776830D+01 -0.289660D+00 -0.358226D+01 -0.178393D+01  0.435664D+01
      2  -0.216104D+01 -0.816209D+00  0.186814D+01  0.648685D+00 -0.381710D+01
      3   0.728305D+01  0.322427D+01 -0.367544D+01 -0.188352D+01  0.530339D+01
               206           207           208           209           210 
      1  -0.594943D+00 -0.603858D+01  0.164350D+01  0.398515D+01  0.135307D+00
      2   0.937357D+00  0.245592D+01 -0.112246D+01  0.726502D+00  0.105782D+00
      3  -0.245850D+01 -0.578372D+01 -0.287889D+01  0.266894D+01 -0.282591D+01
               211           212           213           214           215 
      1  -0.662115D+00 -0.234296D+01 -0.587215D+01  0.831232D+00 -0.266565D+01
      2   0.158004D+01 -0.128795D+01  0.114017D+01 -0.144925D+01  0.791027D+00
      3   0.609566D+01 -0.597791D+01  0.263243D+01 -0.307055D+01  0.373624D+00
               216           217           218           219           220 
      1   0.270128D+01  0.672185D+01 -0.624999D+00 -0.812795D+01 -0.104863D+01
      2  -0.427032D+00  0.411354D+01  0.594751D+00  0.948432D+00 -0.671278D+00
      3  -0.102629D+01  0.157999D+02 -0.107893D+01 -0.745549D+01 -0.174894D+01
               221           222           223           224           225 
      1   0.423099D+01  0.129106D+01 -0.542264D+01  0.127229D+01  0.652293D+01
      2  -0.255928D+00 -0.282833D+00 -0.196492D+01  0.122179D+00 -0.525372D-01
      3   0.274329D+01  0.104236D+01 -0.585742D+01 -0.218776D+00  0.578843D+01
               226           227           228           229           230 
      1  -0.491374D+00  0.386975D+01  0.915042D+00  0.114802D+01  0.633952D+00
      2  -0.921972D+01  0.359684D+01 -0.219804D+00  0.128183D+01 -0.422180D+00
      3  -0.121696D+02  0.139221D+01 -0.200926D+01  0.206556D+01 -0.100419D+01
               231           232           233           234           235 
      1  -0.182502D+01  0.188248D+01 -0.236723D+01  0.726955D+00  0.180637D+01
      2  -0.573335D+00  0.144903D+01 -0.186861D+01 -0.318133D+00  0.306196D-01
      3  -0.373132D+00  0.192544D+01 -0.347963D-01 -0.643190D+00 -0.509018D+00
               236           237           238           239           240 
      1  -0.288232D+00 -0.450127D+00  0.127784D+01  0.952411D+00  0.302252D+01
      2   0.447760D+00 -0.123184D+01  0.969880D-01 -0.191263D+01  0.160384D+01
      3  -0.285513D+00 -0.176256D+01  0.305675D+00 -0.176077D+01 -0.179075D+00
               241           242           243           244           245 
      1   0.287141D+01  0.835946D+00  0.158652D+02 -0.176689D+01  0.265440D+01
      2  -0.159643D+01 -0.156323D+01  0.446497D+01 -0.970112D+01 -0.893376D+00
      3  -0.200383D+01 -0.202144D+01 -0.174380D+01  0.117325D+02 -0.306537D+01
               246           247           248           249           250 
      1  -0.139359D+01  0.995286D+00 -0.202038D+01 -0.976353D+00 -0.165995D+01
      2   0.553943D+00  0.236256D+01  0.853051D+00  0.105623D+01  0.291966D+01
      3   0.175161D+01 -0.241573D+01  0.141149D+01 -0.110510D+01 -0.181003D+01
               251           252           253           254           255 
      1  -0.878959D+00 -0.777485D+00 -0.139126D+01 -0.519994D+00  0.774242D+00
      2   0.163729D+01 -0.306623D-01  0.868115D-01 -0.942084D+00 -0.221706D+01
      3   0.715592D+00  0.652735D+00  0.716950D+00  0.155005D+00  0.155713D+01
               256           257           258           259           260 
      1   0.105198D+01 -0.181360D+01  0.202613D+01 -0.250241D+01  0.253420D+01
      2  -0.117905D+01 -0.786550D+00 -0.194519D+01  0.121202D+00  0.117825D+01
      3   0.740067D+00  0.154355D+01 -0.839958D+00  0.106453D+01 -0.264357D+01
               261           262           263           264           265 
      1  -0.129463D+02 -0.320745D+01 -0.312121D+01  0.720616D+00 -0.380800D+01
      2   0.101786D+02  0.395821D+01  0.219060D+01  0.188291D+01  0.576563D+01
      3   0.176000D+01 -0.533198D+01 -0.598320D+01  0.743996D+00 -0.535942D+01
               266           267           268           269           270 
      1  -0.523301D+01  0.376772D+00 -0.523485D+00 -0.280011D-01 -0.634032D+00
      2   0.737514D+00 -0.343373D+00  0.372316D+01  0.576705D+00 -0.435285D+00
      3  -0.791943D+01  0.193678D+01 -0.987587D+00 -0.168602D+01 -0.669390D+00
               271           272           273           274           275 
      1  -0.177907D+01  0.108869D+01  0.321125D+00  0.377437D-02 -0.119722D+01
      2   0.174884D+00  0.102406D+00 -0.347508D+01 -0.103782D+01 -0.163354D+01
      3  -0.143905D+01  0.234060D+00  0.724879D+00  0.825704D+00 -0.819224D+00
               276           277           278           279           280 
      1   0.785901D+00 -0.150958D+00  0.333774D+01 -0.406914D+01 -0.332149D+00
      2   0.836233D+00  0.899009D+00  0.145946D+01 -0.159553D+02  0.426568D+01
      3   0.160992D+01 -0.764903D+00  0.273953D+01 -0.173515D+01  0.634672D+01
               281           282           283           284           285 
      1  -0.570436D+01  0.612153D+00 -0.201144D+01 -0.543721D+01 -0.169198D+01
      2   0.325224D+01 -0.183928D+00  0.302792D+01  0.341604D+01 -0.973641D+00
      3   0.551109D+01 -0.182461D+01  0.612653D+01  0.678947D+01 -0.976123D+00
               286           287           288           289           290 
      1  -0.907454D-01 -0.383627D+01  0.349709D+00  0.127838D+01  0.125745D+01
      2  -0.323057D-01  0.569016D-01  0.686402D+00  0.152502D+01  0.117773D+00
      3   0.152896D+01  0.122591D+01  0.658392D+00  0.960105D+00 -0.879905D+00
               291           292           293           294           295 
      1  -0.119168D+01  0.253537D+00 -0.267494D+00  0.333360D+01 -0.887282D+00
      2  -0.902703D+00 -0.111082D+01  0.163456D+01  0.966788D-02 -0.346266D+01
      3  -0.150845D+01 -0.290000D+00  0.130509D+01 -0.929096D+00 -0.281544D+01
               296           297           298           299           300 
      1  -0.106285D+01  0.152961D+02 -0.801881D+00 -0.356197D+01 -0.106038D+01
      2  -0.440790D+00  0.612129D+01  0.242545D+01 -0.137004D+01  0.651861D+00
      3   0.393502D+00  0.176174D+01 -0.231002D+01  0.365307D+01  0.132135D+01
               301           302           303           304           305 
      1  -0.874916D-01  0.906763D+01 -0.855207D+00 -0.131095D+01 -0.330945D+01
      2  -0.258926D+01  0.250745D+01  0.141845D+01  0.489027D+00  0.134963D+01
      3   0.427325D+01 -0.108526D+02 -0.161208D+01 -0.940897D+00  0.170417D+01
               306           307           308           309           310 
      1  -0.721955D-01  0.246952D+00  0.136833D+01  0.187154D+01  0.925344D+00
      2   0.773510D+00  0.198596D+01 -0.818714D+00 -0.168390D+01  0.716354D+00
      3  -0.661600D+00 -0.143713D+01 -0.838489D+00  0.103029D+01 -0.241724D+00
               311           312           313           314           315 
      1  -0.231051D-01  0.258488D+01 -0.768415D+00 -0.496780D+00 -0.117849D+02
      2   0.134825D+01 -0.717304D+00 -0.298486D+01  0.208018D+01  0.115051D+02
      3  -0.820737D+00 -0.143766D+01  0.275041D+01 -0.711733D+00 -0.173522D+01
               316           317           318           319           320 
      1   0.117642D+01 -0.212737D+01  0.273045D+00 -0.412660D+01  0.833912D+01
      2   0.251621D+00 -0.146684D+01  0.192107D+01 -0.455239D+01  0.848365D+00
      3   0.159432D+01 -0.341259D+01  0.936955D-01 -0.279390D+01  0.114861D+02
               321           322           323           324           325 
      1   0.438915D+00  0.169181D+01 -0.957869D+00  0.399935D+00  0.206242D+01
      2  -0.567053D+00  0.281576D+01 -0.168823D+01 -0.678435D+00 -0.520291D+00
      3   0.210782D+01  0.289172D+00 -0.188436D+01  0.636098D+00  0.174821D+01
               326           327           328           329           330 
      1   0.292636D+00 -0.134061D+01 -0.271836D+00  0.197710D+00  0.989558D+00
      2  -0.111918D+01 -0.325885D+01  0.365928D+00 -0.188285D+01  0.185826D+00
      3  -0.168517D+00 -0.507458D-01  0.422882D+00  0.537469D+00  0.176504D+01
               331           332           333 
      1   0.139984D+01  0.214995D+01 -0.235112D+01
      2  -0.290562D+00 -0.271535D+01 -0.163074D+02
      3   0.174294D+01  0.224493D+01  0.174653D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.671798D+01 -0.141348D+02  0.790445D+01 -0.100747D+02  0.295645D+02
      2   0.111858D+02  0.255451D+02 -0.864479D+01  0.188111D+02 -0.432753D+02
      3  -0.446778D+01 -0.114103D+02  0.740335D+00 -0.873639D+01  0.137108D+02
      4  -0.101140D+02  0.642949D+01  0.129403D+02  0.671620D+01  0.126264D+02
      5   0.836889D+01  0.319025D+00 -0.766326D+01 -0.313313D+01 -0.318920D+01
      6   0.145170D+02 -0.908354D+01 -0.576929D+01 -0.410762D+01  0.263826D+02
                 6             7             8             9            10 
      1  -0.136162D+02  0.637743D+01 -0.892915D+01 -0.117021D+01  0.123721D+02
      2   0.255787D+02 -0.665320D+01  0.176075D+02 -0.288394D+01 -0.176773D+02
      3  -0.119625D+02  0.275771D+00 -0.867836D+01  0.405415D+01  0.530525D+01
      4   0.520101D-01  0.106779D+02 -0.211731D+01 -0.420791D+01  0.112133D+01
      5  -0.937152D+00 -0.650795D+01 -0.288620D+00  0.781390D+00 -0.924909D+00
      6  -0.652211D+01 -0.384179D+01 -0.726106D+01 -0.393371D+01 -0.222784D+02
                11            12            13            14            15 
      1   0.118551D+02 -0.360892D+00  0.959393D+01  0.621708D+00  0.871541D+01
      2  -0.267330D+02 -0.492011D+01 -0.218048D+02 -0.451885D+01 -0.194720D+02
      3   0.148780D+02  0.528100D+01  0.122109D+02  0.389714D+01  0.107566D+02
      4  -0.243298D+02 -0.191664D+02 -0.203055D+02 -0.223234D+02 -0.705118D+01
      5  -0.880110D+01 -0.513743D+01 -0.370195D+01 -0.996149D+01  0.339036D+00
      6  -0.866307D+01  0.516271D+01 -0.539335D+01 -0.175039D+02 -0.909236D+01
                16            17            18            19            20 
      1  -0.149474D+01  0.445488D+01  0.156753D+01 -0.186130D+02 -0.493041D+01
      2  -0.210363D+01 -0.123668D+02 -0.565322D+01  0.124320D+02  0.711374D+01
      3   0.359837D+01  0.791193D+01  0.408569D+01  0.618097D+01 -0.218333D+01
      4  -0.154109D+02 -0.541737D+01  0.234663D+01 -0.784699D+01  0.505214D+01
      5  -0.516715D+01 -0.597940D+00  0.224047D+01 -0.442798D+01  0.246296D+01
      6   0.295509D+01 -0.865361D+01  0.332869D+01  0.473755D+01  0.261254D+01
                21            22            23            24            25 
      1  -0.226121D+01 -0.979284D+01 -0.117877D+02 -0.107356D+02 -0.883559D+00
      2   0.173923D+00  0.145581D+02  0.109290D+02  0.126496D+02  0.194166D+01
      3   0.208728D+01 -0.476522D+01  0.858693D+00 -0.191397D+01 -0.105811D+01
      4   0.201963D+01  0.753899D+01  0.104750D+02  0.542653D+01  0.358463D+00
      5   0.384899D+01  0.159398D+01  0.897229D+01  0.202903D+01  0.302065D+01
      6   0.221961D+01  0.439620D+01  0.898574D+01  0.687625D+01 -0.194977D+00
                26            27            28            29            30 
      1  -0.555371D+01  0.392494D+01 -0.842078D+01 -0.331808D-01 -0.524528D+01
      2   0.533467D+01  0.126851D+02  0.283743D+01  0.342152D-01  0.528338D+01
      3   0.219037D+00 -0.166101D+02  0.558334D+01 -0.103444D-02 -0.380993D-01
      4   0.368088D+01 -0.595602D-01 -0.234970D-01 -0.556729D+01  0.350005D+01
      5   0.466739D+00 -0.461986D+01 -0.326410D+01  0.218959D+01 -0.302765D+01
      6   0.579461D+01 -0.736061D+01  0.218621D+01  0.333782D+01 -0.179901D-01
                31            32            33            34            35 
      1   0.904865D-02  0.288273D+01  0.349424D+01 -0.775656D+01  0.517818D+01
      2  -0.374897D-01 -0.849469D+01 -0.350071D+01  0.777084D+01 -0.518184D+01
      3   0.284411D-01  0.561196D+01  0.647542D-02 -0.142839D-01  0.365942D-02
      4  -0.564113D+01 -0.241514D-01  0.529618D+01  0.521803D+01  0.771585D+01
      5   0.217923D+01  0.331239D+01  0.357884D-01  0.389859D+01  0.102941D-01
      6   0.330999D+01 -0.218334D+01 -0.302168D+01  0.869034D-02  0.383404D+01
                36            37            38            39            40 
      1  -0.274004D+00 -0.310991D+01  0.143805D+01  0.118068D+01  0.625399D+01
      2  -0.342884D+00 -0.473184D+01 -0.737568D+00 -0.385700D+01 -0.812014D+01
      3   0.616888D+00  0.784175D+01 -0.700477D+00  0.267632D+01  0.186614D+01
      4   0.118503D-01  0.127815D+02 -0.572311D+01 -0.220651D+01 -0.833038D+01
      5  -0.267033D-01 -0.470778D+01  0.269094D+01  0.279280D+01  0.418059D+01
      6   0.286480D-01 -0.116027D+01 -0.102987D+01 -0.516366D+00  0.262839D+00
                41            42            43            44            45 
      1  -0.212412D+02  0.115828D+02  0.182081D+01  0.630393D+01  0.525934D+01
      2   0.220615D+02 -0.125439D+02 -0.789149D+00 -0.649262D+01  0.113425D+02
      3  -0.820316D+00  0.961115D+00 -0.103166D+01  0.188690D+00 -0.166019D+02
      4   0.436707D+01 -0.390695D+01  0.247598D+00 -0.144741D+01  0.312417D+01
      5   0.362102D+01 -0.330398D+00  0.331923D+01  0.555889D+00 -0.142164D+01
      6  -0.132489D+02  0.791188D+01  0.120382D+01  0.547119D+01  0.859152D+01
                46            47            48            49            50 
      1   0.563415D+01  0.110812D+02  0.108179D+02  0.454107D+01  0.161529D+02
      2  -0.749796D+01 -0.575815D+01 -0.864473D+01 -0.179091D+01 -0.213059D+02
      3   0.186380D+01 -0.532302D+01 -0.217317D+01 -0.275016D+01  0.515301D+01
      4   0.105895D+02  0.122439D+02  0.789695D+01  0.830348D+01 -0.110532D+01
      5   0.687967D+01  0.434394D+01  0.626546D+01  0.246702D+01  0.614897D+01
      6   0.917831D+01  0.383557D+01  0.233603D+01  0.450376D+01 -0.294051D+01
                51            52            53            54            55 
      1   0.102972D+01  0.390799D+01  0.235326D+01  0.125304D+02  0.563035D+01
      2  -0.289119D+01 -0.425634D+01 -0.137832D+01  0.408683D+01 -0.605272D+01
      3   0.186147D+01  0.348350D+00 -0.974942D+00 -0.166172D+02  0.422375D+00
      4   0.332947D+01  0.482972D+01  0.132349D+01  0.109499D+01 -0.151481D+02
      5   0.256374D+01  0.570681D+01  0.186159D+00 -0.671886D+01 -0.145560D+02
      6   0.443588D+01  0.828187D+00  0.311327D+01 -0.549778D+01 -0.101516D+02
                56            57            58            59            60 
      1  -0.129498D+02 -0.170394D+02 -0.167410D+02 -0.217915D+02 -0.211867D+01
      2   0.139809D+01  0.705467D+01  0.251130D+01  0.129899D+02 -0.450611D+01
      3   0.115517D+02  0.998468D+01  0.142297D+02  0.880160D+01  0.662478D+01
      4  -0.252806D+02 -0.785403D+01 -0.301310D+02 -0.986727D+01 -0.202940D+02
      5  -0.385651D+01 -0.971499D+01 -0.645652D+01 -0.234487D+02  0.455915D+01
      6  -0.520346D+01 -0.247990D+00 -0.106939D+02 -0.580033D+01 -0.448594D+01
                61            62            63            64            65 
      1  -0.108395D+02  0.493330D+00 -0.611302D+01 -0.494028D+02  0.831281D+01
      2   0.345244D+01 -0.507737D+01  0.204039D+01  0.334221D+02 -0.226582D+01
      3   0.738710D+01  0.458404D+01  0.407263D+01  0.159808D+02 -0.604699D+01
      4  -0.538262D+01 -0.157954D+02  0.133774D+01 -0.149248D+00  0.111849D+02
      5  -0.888293D+01  0.246074D+01  0.301913D+01  0.279961D+02 -0.174756D+01
      6  -0.107766D+01 -0.492003D+01  0.264390D+01  0.103080D+01 -0.485620D+01
                66            67            68            69            70 
      1   0.262299D+02  0.149418D+02  0.176521D+02 -0.838037D+01  0.187773D+02
      2  -0.142738D+02 -0.622767D+01 -0.108810D+02  0.919090D+01 -0.101233D+02
      3  -0.119561D+02 -0.871414D+01 -0.677102D+01 -0.810530D+00 -0.865402D+01
      4   0.370982D+01  0.123114D+02 -0.449558D+01  0.109296D+02  0.236188D+00
      5  -0.571703D+01 -0.714321D+01  0.118729D+02 -0.548869D+01 -0.675129D+01
      6  -0.677268D+00 -0.207660D+01  0.943212D+01 -0.850477D+01 -0.320749D+00
                71            72            73            74            75 
      1  -0.681704D+01 -0.180587D+01  0.203880D+02 -0.199725D+01 -0.106335D+02
      2   0.766589D+01 -0.226765D+01 -0.195739D+02  0.126196D+01  0.100048D+02
      3  -0.848850D+00  0.407352D+01 -0.814095D+00  0.735292D+00  0.628656D+00
      4   0.872809D+01 -0.429406D+01  0.119142D+02 -0.993995D+01 -0.644342D+01
      5  -0.387023D+01 -0.400947D+01 -0.131876D+02 -0.191971D+01  0.797411D+01
      6  -0.705456D+01  0.265090D+00  0.917362D+00  0.490581D+01  0.368015D+00
                76            77            78            79            80 
      1   0.447809D+01 -0.820295D+01 -0.461546D+01 -0.576822D+01 -0.154325D+01
      2  -0.262672D+01  0.347461D+00  0.184698D+01  0.544124D+01  0.256057D+01
      3  -0.185137D+01  0.785549D+01  0.276848D+01  0.326977D+00 -0.101732D+01
      4  -0.588799D+01  0.100904D+02 -0.366409D+01 -0.299865D+01 -0.503968D+00
      5  -0.302016D+01 -0.970621D+00  0.138609D+00  0.523322D+01  0.146551D+01
      6   0.326902D+01 -0.383341D+01  0.276235D+01  0.812971D+00  0.361727D+01
                81            82            83            84            85 
      1   0.104522D+02 -0.722936D+00  0.510508D+01  0.289397D+01  0.730967D+01
      2   0.617069D+01 -0.446101D+01 -0.104488D+02 -0.222788D+00 -0.100698D+02
      3  -0.166229D+02  0.518395D+01  0.534371D+01 -0.267118D+01  0.276017D+01
      4   0.382528D+01 -0.411412D+01  0.112002D+02 -0.100766D+02  0.468934D+01
      5   0.869052D+01  0.229500D+01 -0.695553D+00  0.429486D+01  0.127694D+01
      6  -0.306891D+00 -0.578732D+01  0.774501D+01 -0.229233D+01  0.762593D+01
                86            87            88            89            90 
      1   0.839910D+01  0.839144D+00 -0.982759D+00 -0.517575D+00  0.105520D+02
      2  -0.102367D+02 -0.178869D-01  0.244627D+00 -0.315442D+00  0.606639D+01
      3   0.183764D+01 -0.821257D+00  0.738132D+00  0.833017D+00 -0.166184D+02
      4  -0.204908D+02  0.820419D+01 -0.497303D+01  0.450637D+01 -0.378036D+01
      5   0.731252D+01 -0.247739D+01  0.498756D+01 -0.936688D+00 -0.406847D+01
      6  -0.502730D+01  0.644516D+01 -0.162139D+01  0.384116D+01  0.770442D+01
                91            92            93            94            95 
      1   0.600813D+01 -0.134903D+02 -0.118631D+02 -0.138379D+02 -0.107592D+01
      2   0.144697D+01  0.183443D+02  0.520312D+01  0.213683D+02 -0.156012D+02
      3  -0.745510D+01 -0.485398D+01  0.665997D+01 -0.753036D+01  0.166772D+02
      4  -0.958318D+01 -0.110608D+02  0.784002D+01 -0.161682D+02  0.354828D+02
      5  -0.976918D+01 -0.240002D+01 -0.105067D+02 -0.210987D+01 -0.192386D+02
      6   0.828023D+01 -0.379427D+01  0.276748D+01 -0.984892D+01  0.210279D+02
                96            97            98            99           100 
      1  -0.793042D+01 -0.870069D+01 -0.813200D+01 -0.589982D+01 -0.300166D+02
      2   0.178847D+02  0.364817D+01  0.152098D+02  0.182155D+01  0.121392D+02
      3  -0.995426D+01  0.505252D+01 -0.707776D+01  0.407826D+01  0.178774D+02
      4  -0.178746D+02  0.465533D+01 -0.118864D+02  0.194884D+01  0.339005D+02
      5  -0.209776D+01 -0.880285D+01 -0.873677D+00  0.178098D+01  0.247570D+02
      6  -0.373638D+01  0.270446D+01 -0.499628D+01 -0.362302D+01 -0.153487D+02
               101           102           103           104           105 
      1   0.204537D+02  0.214807D+02  0.161498D+02  0.949139D+01  0.574254D+01
      2  -0.162989D+02 -0.107643D+02 -0.146776D+02 -0.850111D+00 -0.110712D+02
      3  -0.415476D+01 -0.107164D+02 -0.147226D+01 -0.864128D+01  0.532870D+01
      4  -0.523668D+01 -0.150563D+02 -0.711796D+00 -0.114049D+02  0.787519D+01
      5  -0.744935D+01 -0.390756D+01 -0.140695D+01  0.804434D+01  0.360603D+01
      6  -0.428258D+01 -0.123907D+01 -0.378892D+01 -0.955942D+01 -0.102776D+02
               106           107           108           109           110 
      1   0.174328D+02  0.454968D+01  0.118763D+01 -0.147258D+01 -0.106926D+02
      2  -0.976997D+01 -0.864848D+01 -0.525176D+01  0.637167D+00  0.853265D+01
      3  -0.766280D+01  0.409880D+01  0.406413D+01  0.835408D+00  0.215994D+01
      4  -0.916902D+01  0.493784D+01  0.286262D+01 -0.232525D+02 -0.259784D+00
      5  -0.529802D+01  0.314500D+01 -0.381296D+01 -0.785627D+01  0.717096D+01
      6  -0.405799D+00 -0.851003D+01  0.130030D+01  0.618230D+01  0.288794D+01
               111           112           113           114           115 
      1  -0.238290D+01 -0.127867D+02 -0.649877D+01  0.217536D+01 -0.160990D+01
      2   0.288830D+01  0.805689D+01  0.307831D+00  0.635280D+00  0.923163D+00
      3  -0.505396D+00  0.472986D+01  0.619094D+01 -0.281064D+01  0.686735D+00
      4   0.910122D+01  0.630861D+01 -0.336039D+01 -0.903841D+01  0.489093D+01
      5   0.700526D+01  0.755337D+01 -0.406803D+01 -0.190743D+01  0.417148D+01
      6  -0.211086D+01  0.945939D+00  0.195414D+01  0.369629D+01 -0.106231D+01
               116           117           118           119           120 
      1   0.132972D+01  0.711044D+01  0.831661D+02 -0.110816D+01 -0.216293D+02
      2  -0.212148D+01  0.950108D+01 -0.479322D+02  0.161848D+01  0.145201D+02
      3   0.791757D+00 -0.166115D+02 -0.352339D+02 -0.510324D+00  0.710925D+01
      4  -0.396545D+01 -0.420760D+01  0.104234D+02  0.801466D+01 -0.245934D+01
      5  -0.169642D+01  0.815657D+01 -0.332462D+02  0.465088D+00  0.187594D+02
      6   0.464833D+01 -0.308107D+01 -0.361017D+01 -0.163386D+01  0.298959D+01
               121           122           123           124           125 
      1  -0.143919D+02  0.735478D+01  0.510034D+01 -0.177483D+02  0.106012D+01
      2   0.994816D+01 -0.399612D+01 -0.472477D+01  0.142633D+02 -0.177492D+01
      3   0.444375D+01 -0.335866D+01 -0.375567D+00  0.348491D+01  0.714798D+00
      4   0.947367D+01 -0.872575D+00 -0.443762D+01 -0.272052D+01 -0.343383D+01
      5   0.633201D+01 -0.571614D+01 -0.276655D+01  0.227168D+02  0.225874D+00
      6  -0.253455D+01 -0.927939D+00  0.274496D+01  0.317465D+01  0.274931D+01
               126           127           128           129           130 
      1   0.134229D+02  0.131656D+01  0.544427D+01 -0.744019D+01  0.450207D+01
      2  -0.110405D+02  0.524941D-01 -0.375077D+01  0.378268D+01 -0.141574D+01
      3  -0.238242D+01 -0.136906D+01 -0.169350D+01  0.365751D+01 -0.308632D+01
      4   0.215902D+01  0.222559D+01  0.212709D-01 -0.127461D+01  0.728276D+01
      5  -0.135237D+02 -0.499045D+01 -0.759051D+00  0.629895D+00 -0.346271D+01
      6  -0.162349D+01 -0.341020D+01  0.283904D+01 -0.196892D+01 -0.215627D+01
               131           132           133           134           135 
      1  -0.133568D+02  0.749844D+01 -0.627728D+01  0.528168D+01 -0.647831D+01
      2   0.182415D+02 -0.642636D+01  0.353392D+01 -0.311348D+01  0.186537D+01
      3  -0.488472D+01 -0.107207D+01  0.274337D+01 -0.216820D+01  0.461294D+01
      4   0.227451D+02 -0.106576D+02 -0.448037D+01 -0.880481D+01  0.809925D+01
      5  -0.106930D+02  0.120553D+02  0.512849D+01  0.855969D+01 -0.107109D+02
      6  -0.170074D+02  0.127820D+02  0.155108D+01  0.112574D+02 -0.110248D+02
               136           137           138           139           140 
      1   0.344827D+02  0.170418D+02  0.101348D+02  0.209193D+02  0.124879D+02
      2  -0.129610D+02 -0.361922D+01 -0.472672D+01 -0.253528D+01  0.458375D+01
      3  -0.215217D+02 -0.134226D+02 -0.540810D+01 -0.183840D+02 -0.170717D+02
      4   0.317580D+02  0.233775D+02  0.974788D+01  0.342048D+02  0.345555D+02
      5   0.184866D+02  0.964534D+01  0.129266D+02  0.137552D+02  0.151697D+02
      6   0.834711D+01  0.587808D+01  0.482094D+01  0.101644D+02  0.117505D+02
               141           142           143           144           145 
      1   0.421789D+01  0.876783D+01  0.255724D+01  0.643924D+01  0.149842D+02
      2   0.405612D+00 -0.556925D+01 -0.100744D+01 -0.406156D+01 -0.998513D+01
      3  -0.462351D+01 -0.319859D+01 -0.154981D+01 -0.237768D+01 -0.499910D+01
      4   0.149078D+02  0.103243D+02  0.107633D+02  0.112476D+02 -0.519364D+01
      5   0.105796D+02  0.169530D+02  0.106708D+02  0.117103D+02  0.122179D+02
      6   0.856484D+01  0.772025D+01  0.849861D+01  0.693760D+01 -0.878506D+00
               146           147           148           149           150 
      1  -0.619516D+01  0.843416D+01 -0.135025D+02  0.840093D+01 -0.356516D+01
      2   0.457111D+01 -0.617481D+01  0.104734D+02 -0.712006D+01  0.663521D+01
      3   0.162405D+01 -0.225935D+01  0.302914D+01 -0.128087D+01 -0.307005D+01
      4   0.780932D+01 -0.173143D+01  0.112766D+02 -0.159124D+02  0.106240D+02
      5  -0.396441D+01  0.100235D+02 -0.915916D+01  0.126783D+02 -0.141818D+02
      6   0.198236D+01 -0.162174D+00  0.429103D+01 -0.577698D+01  0.341062D+01
               151           152           153           154           155 
      1   0.940132D+01 -0.783877D+00  0.444666D+01  0.567807D+01 -0.527019D+01
      2  -0.853475D+01  0.417096D+01 -0.904376D+01  0.395895D+01 -0.508328D+01
      3  -0.866569D+00 -0.338708D+01  0.459709D+01 -0.963702D+01  0.103535D+02
      4  -0.101542D+01  0.720776D+01 -0.612685D+01 -0.175956D+02  0.198654D+02
      5   0.122912D+02 -0.777263D+01  0.152049D+02  0.778285D+01 -0.595092D+01
      6  -0.764950D+00  0.410674D+01 -0.223085D+01 -0.666691D+01  0.499028D+01
               156           157           158           159           160 
      1   0.361699D+01 -0.107319D+01 -0.136961D+02  0.595465D+01  0.154977D+01
      2  -0.388476D+00 -0.142318D+02  0.426658D+02 -0.123008D+02  0.809074D+00
      3  -0.322851D+01  0.153050D+02 -0.289698D+02  0.634617D+01 -0.235884D+01
      4  -0.668435D+01  0.284917D+02 -0.489119D+02  0.156460D+02 -0.803637D+01
      5   0.685087D+01 -0.810424D+01  0.156452D+02 -0.986975D+01  0.921818D+01
      6  -0.411560D+01  0.105224D+02 -0.248142D+02  0.146584D+02 -0.802298D+01
               161           162           163           164           165 
      1   0.539853D+01 -0.305327D+01  0.252026D+02  0.686959D+01  0.106024D+02
      2  -0.805776D+01  0.543277D+01 -0.191417D+02 -0.724230D+01 -0.969916D+01
      3   0.265923D+01 -0.237950D+01 -0.606096D+01  0.372710D+00 -0.903284D+00
      4   0.129362D+02 -0.116749D+02 -0.310045D+01  0.538324D+01 -0.214160D+01
      5  -0.109745D+02  0.817676D+01  0.170744D+02  0.311494D+01  0.141204D+02
      6   0.162505D+02 -0.109024D+02 -0.295064D+01  0.173457D+01 -0.427213D+01
               166           167           168           169           170 
      1   0.146679D+02  0.709367D+01  0.597519D+01  0.888146D+01  0.189448D+01
      2  -0.136523D+02 -0.692160D+01 -0.969210D+01 -0.938948D+01 -0.536447D+01
      3  -0.101560D+01 -0.172068D+00  0.371692D+01  0.508027D+00  0.346999D+01
      4   0.318464D+01  0.373272D+01  0.512394D+01 -0.391347D+01  0.524244D+01
      5   0.878876D+01  0.845975D+01  0.975367D+01  0.141094D+02  0.363724D+01
      6   0.188823D+01 -0.430734D+00 -0.689333D+00 -0.338132D+01  0.228655D+01
               171           172           173           174           175 
      1   0.679231D+01  0.577108D+02 -0.148952D+02 -0.160738D+02 -0.373142D+01
      2  -0.114150D+02 -0.257408D+02  0.254273D+01  0.936849D+01 -0.365949D+01
      3   0.462269D+01 -0.319700D+02  0.123525D+02  0.670536D+01  0.739091D+01
      4  -0.435544D+00 -0.453566D+02  0.220757D+02  0.135287D+02  0.154524D+02
      5   0.149257D+02 -0.285178D+02  0.871448D+01  0.163164D+02  0.294605D+01
      6  -0.376891D+01  0.136982D+02 -0.574302D+01 -0.861082D+01 -0.432631D+01
               176           177           178           179           180 
      1   0.521568D+01 -0.702805D+00 -0.114561D+02  0.141974D+01  0.831087D+01
      2   0.141666D+01  0.306733D+01  0.851558D+01  0.570357D+00 -0.592686D+01
      3  -0.663234D+01 -0.236453D+01  0.294049D+01 -0.199010D+01 -0.238401D+01
      4  -0.117447D+02 -0.523285D+01  0.116725D+02 -0.637562D+01 -0.101660D+02
      5  -0.570288D+01 -0.285796D+01  0.185781D+02 -0.678039D+01 -0.118535D+02
      6   0.538270D+01  0.516518D+01 -0.972925D+01  0.687022D+01  0.666205D+01
               181           182           183           184           185 
      1  -0.490605D+01 -0.123245D+02 -0.949439D+01 -0.673478D+01 -0.203295D+02
      2   0.511065D+01  0.125765D+02  0.570719D+01  0.557394D+01  0.264070D+02
      3  -0.204599D+00 -0.252014D+00  0.378720D+01  0.116084D+01 -0.607752D+01
      4   0.124094D+01  0.721280D+00  0.349905D+01  0.473368D+01 -0.825161D+01
      5  -0.185445D+01  0.115809D+01 -0.114887D+01  0.177091D+01 -0.484383D+01
      6   0.687151D+01  0.768427D+01  0.772547D+01  0.202968D+01  0.180114D+02
               186           187           188           189           190 
      1  -0.101179D+02 -0.547958D+01 -0.885822D+01 -0.109743D+02 -0.186557D+01
      2   0.105444D+02  0.211329D+01  0.791245D+01  0.637497D+01  0.148962D+02
      3  -0.426507D+00  0.336629D+01  0.945774D+00  0.459931D+01 -0.130307D+02
      4  -0.428927D+01  0.489849D+01 -0.557158D+01 -0.278251D+01  0.257740D+02
      5  -0.629347D+01  0.246133D+01 -0.491567D+01 -0.568369D+01  0.795583D+01
      6   0.145891D+02  0.209143D+01  0.139432D+02  0.142952D+02  0.133620D+02
               191           192           193           194           195 
      1  -0.853620D+01 -0.244133D+01 -0.687874D+01 -0.227128D+02 -0.738195D+01
      2   0.257928D+02  0.631973D+01  0.191864D+02  0.482636D+02  0.133484D+02
      3  -0.172566D+02 -0.387840D+01 -0.123077D+02 -0.255508D+02 -0.596648D+01
      4   0.301709D+02  0.128223D+02  0.200801D+02  0.311425D+02  0.925793D+01
      5   0.856629D+01  0.665669D+01  0.485131D+01  0.760413D+01  0.400228D+01
      6   0.141729D+02  0.976283D+01  0.954393D+01  0.226589D+02  0.148564D+02
               196           197           198           199           200 
      1  -0.265594D+01 -0.841694D+01 -0.679233D+01 -0.406206D+01  0.769555D+01
      2   0.377848D+01  0.117901D+02  0.916901D+01  0.599314D+01 -0.111077D+02
      3  -0.112254D+01 -0.337319D+01 -0.237668D+01 -0.193108D+01  0.341220D+01
      4   0.880231D+01  0.935598D+01  0.951381D+01 -0.201739D+02  0.124004D+02
      5   0.627027D+01  0.632147D+01  0.535752D+01 -0.832715D+01  0.467073D+01
      6   0.927110D+01  0.191926D+02  0.125248D+02  0.133919D+02 -0.833243D+01
               201           202           203           204           205 
      1   0.440141D+01  0.291436D+01 -0.685717D+01 -0.494579D+01  0.324571D+01
      2  -0.164147D+01 -0.492983D+01  0.111798D+02  0.757734D+01  0.888739D-02
      3  -0.275994D+01  0.201547D+01 -0.432259D+01 -0.263155D+01 -0.325460D+01
      4   0.119458D+02  0.735741D+01 -0.541997D+01 -0.201672D+01  0.797014D+01
      5   0.537704D+01  0.170257D+01 -0.151400D+01 -0.771407D+00  0.535004D+01
      6  -0.147932D+02 -0.348677D+01  0.104016D+02  0.804463D+01 -0.868593D+01
               206           207           208           209           210 
      1  -0.761086D+01 -0.724068D+01 -0.519265D+01  0.127710D+02 -0.527226D+01
      2   0.890568D+01  0.262609D+01  0.960515D+01 -0.212715D+02  0.657099D+01
      3  -0.129481D+01  0.461459D+01 -0.441249D+01  0.850052D+01 -0.129874D+01
      4  -0.227233D+01 -0.766010D+01 -0.502480D+01  0.125418D+02 -0.580092D+01
      5  -0.167615D+01 -0.419418D+01  0.489147D+00 -0.336812D+01  0.298425D+01
      6   0.110462D+02  0.148042D+02 -0.705059D+01  0.940500D+01 -0.483372D+01
               211           212           213           214           215 
      1   0.517905D+01 -0.467953D+02  0.139582D+02 -0.270725D+01  0.141767D+02
      2  -0.872151D+01  0.809986D+02 -0.209543D+02  0.245150D+01 -0.177246D+02
      3   0.354246D+01 -0.342033D+02  0.699607D+01  0.255746D+00  0.354789D+01
      4   0.833867D+01 -0.414610D+01  0.154471D+01 -0.384525D+01  0.100909D+01
      5  -0.171241D+01  0.837628D-01  0.918685D+00  0.264589D+01  0.538853D+00
      6   0.370880D+01 -0.321304D+02  0.184940D+02 -0.240921D+01  0.227942D+02
               216           217           218           219           220 
      1  -0.111705D+02  0.124943D+02 -0.150512D+01 -0.391828D+01 -0.190314D+01
      2   0.135534D+02 -0.827493D+01  0.497855D+01  0.544317D+01  0.397239D+01
      3  -0.238290D+01 -0.421933D+01 -0.347343D+01 -0.152489D+01 -0.206924D+01
      4  -0.107316D+01  0.249923D+02  0.931582D+01 -0.120195D+02  0.186494D+01
      5   0.152035D+00 -0.154174D+02 -0.335437D+01  0.112791D+02  0.123720D+01
      6  -0.135965D+02 -0.121647D+02 -0.462047D+01  0.134626D+02 -0.127225D+01
               221           222           223           224           225 
      1  -0.121122D+01  0.344076D+01 -0.127376D+01  0.441537D+01 -0.367193D+00
      2   0.326960D+01 -0.693868D+01  0.377567D+01 -0.685694D+01 -0.423450D+01
      3  -0.205838D+01  0.349792D+01 -0.250191D+01  0.244157D+01  0.460169D+01
      4   0.308253D+01 -0.136238D+01 -0.911524D+01 -0.429992D+01  0.890390D+01
      5  -0.278687D+01 -0.558351D+00  0.985302D+01  0.217005D+01 -0.954169D+01
      6  -0.606536D+01  0.215538D+01  0.918169D+01  0.655151D+01 -0.120684D+02
               226           227           228           229           230 
      1   0.125476D+02  0.179351D+01 -0.147424D+01 -0.214520D+01  0.203500D+01
      2  -0.408128D+01 -0.771784D+01  0.490519D+00 -0.163912D+01  0.298790D+01
      3  -0.846629D+01  0.592433D+01  0.983719D+00  0.378432D+01 -0.502290D+01
      4  -0.239000D+02  0.108706D+02 -0.437697D+01  0.918074D+01 -0.713188D+01
      5   0.109973D+02 -0.482962D+01  0.457849D+01 -0.250943D+01  0.139405D+01
      6  -0.381922D+01  0.673476D+01 -0.553832D+01  0.155423D+01 -0.268510D-01
               231           232           233           234           235 
      1  -0.123111D+01 -0.111199D+01 -0.347843D+01  0.130542D+01 -0.646440D+00
      2   0.123754D+01 -0.166330D+01  0.617201D+01 -0.330717D+01 -0.221728D+01
      3  -0.643336D-02  0.277530D+01 -0.269358D+01  0.200175D+01  0.286372D+01
      4   0.143012D+01  0.220050D+01 -0.509924D+00 -0.316515D+01 -0.126442D+01
      5  -0.130154D+01  0.229123D+01 -0.657832D+00  0.183601D+01  0.164226D+01
      6   0.129490D+01 -0.264379D+01 -0.611685D+00 -0.564289D+00 -0.246925D+01
               236           237           238           239           240 
      1  -0.295024D+01  0.194021D+01 -0.180465D+01  0.872065D+00 -0.152128D+01
      2   0.285975D+01 -0.625087D+00  0.107798D+01 -0.365565D+01 -0.332268D+01
      3   0.904959D-01 -0.131513D+01  0.726666D+00  0.278359D+01  0.484396D+01
      4   0.248900D+01 -0.308772D+01  0.339478D+00 -0.147326D+00  0.431964D-01
      5  -0.971768D+00  0.516774D+01 -0.113018D+00 -0.114068D+01  0.109955D+01
      6  -0.113214D+01  0.104730D+01 -0.843925D+00  0.402967D+00  0.128650D+01
               241           242           243           244           245 
      1  -0.102851D+01  0.646387D+01 -0.172383D+02  0.297375D+02 -0.205292D+01
      2  -0.332631D+01 -0.381179D+01 -0.194688D+02 -0.183247D+02  0.532808D+01
      3   0.435483D+01 -0.265208D+01  0.367072D+02 -0.114129D+02 -0.327516D+01
      4  -0.388022D+01  0.184510D+00 -0.342747D+01  0.162924D+02  0.651885D+01
      5   0.440896D+01 -0.101042D+01  0.576600D+01  0.136106D+02  0.191153D+01
      6  -0.362030D+01  0.765057D+01 -0.235625D+02  0.102949D+01  0.371796D+01
               246           247           248           249           250 
      1   0.247227D+01 -0.754391D+00  0.452377D+01  0.100948D+01 -0.190085D+01
      2  -0.338807D+01  0.189503D+01 -0.243003D+01 -0.635012D+00 -0.169689D+01
      3   0.915806D+00 -0.114064D+01 -0.209375D+01 -0.374467D+00  0.359774D+01
      4   0.353354D+01  0.176882D+01  0.503884D-01 -0.132828D+01 -0.308008D+01
      5   0.650212D+01 -0.220396D+01 -0.716240D+00 -0.871266D+00  0.302210D+01
      6   0.336900D+01 -0.176386D+00 -0.224537D+01 -0.651272D+00  0.112663D+01
               251           252           253           254           255 
      1   0.264215D+01  0.287278D+01  0.200243D+01  0.315714D+01  0.415358D+01
      2  -0.407104D+01 -0.485908D+01 -0.456391D+01 -0.316067D+01 -0.109646D+01
      3   0.142889D+01  0.198629D+01  0.256149D+01  0.353815D-02 -0.305711D+01
      4  -0.281380D+01  0.595842D+00 -0.311009D+00 -0.790047D+00  0.142989D+01
      5  -0.866119D+00  0.189718D+01  0.201455D+01 -0.871286D+00  0.383853D+01
      6  -0.134632D+01 -0.206682D+00  0.625513D+00 -0.164639D+01 -0.209406D+01
               256           257           258           259           260 
      1   0.920019D+00 -0.167692D+01  0.242388D+00 -0.572376D+00 -0.497787D+01
      2  -0.280427D+00 -0.140394D+01  0.372409D+01 -0.447745D+01  0.420394D+01
      3  -0.639592D+00  0.308086D+01 -0.396648D+01  0.504982D+01  0.773934D+00
      4  -0.127902D+01 -0.843066D+00  0.125510D+00  0.322438D+01  0.273744D+01
      5  -0.155743D+01 -0.759332D+00 -0.216404D+01  0.652640D+01  0.147262D+01
      6  -0.105859D+01  0.109815D+01  0.261378D+01  0.409134D+01  0.553154D+01
               261           262           263           264           265 
      1  -0.151354D+02  0.224673D+02  0.873606D+01 -0.242664D+01  0.137624D+02
      2  -0.215714D+02 -0.123889D+02 -0.588780D+01  0.292999D+01 -0.877275D+01
      3   0.367068D+02 -0.100784D+02 -0.284825D+01 -0.503349D+00 -0.498966D+01
      4   0.163474D+01  0.981281D+01  0.102007D+02 -0.222493D+01  0.670351D+01
      5   0.143660D+02 -0.743511D+01 -0.340320D+01  0.507120D+01 -0.903918D+01
      6   0.195361D+02 -0.376212D+01 -0.362784D+01  0.100693D+01 -0.305093D+01
               266           267           268           269           270 
      1   0.718405D+01 -0.297137D+01  0.534184D+01  0.863926D+00  0.578805D+00
      2  -0.377967D+01  0.382458D+01 -0.162582D+01  0.195635D+00 -0.257915D+01
      3  -0.340438D+01 -0.853210D+00 -0.371602D+01 -0.105956D+01  0.200035D+01
      4   0.125395D+02 -0.275125D+00 -0.298561D+01  0.271421D+01  0.358276D+01
      5  -0.209852D+01  0.525965D+01  0.153679D+01  0.307905D+01 -0.139933D+01
      6  -0.507091D+01  0.797046D+00  0.108775D+01  0.153694D+00 -0.131249D+01
               271           272           273           274           275 
      1  -0.168515D+01  0.486406D+00 -0.386665D+01  0.129440D+01 -0.144563D+01
      2  -0.760285D+00  0.205895D-03 -0.993080D+00 -0.144329D+01 -0.174661D+01
      3   0.244544D+01 -0.486612D+00  0.485973D+01  0.148885D+00  0.319224D+01
      4   0.409131D+01 -0.187466D+00 -0.670544D+00  0.216168D+01 -0.754760D+00
      5   0.464359D+00 -0.129719D+01  0.131561D+01 -0.147267D+01 -0.249301D+01
      6  -0.289844D+00 -0.459516D+00  0.112007D+01 -0.134881D+01  0.893142D+00
               276           277           278           279           280 
      1  -0.879332D+00 -0.151809D+01  0.166548D+00 -0.159547D+02 -0.460487D+01
      2   0.215372D+01  0.598311D+01  0.226742D+01 -0.207566D+02  0.710791D+01
      3  -0.127438D+01 -0.446501D+01 -0.243397D+01  0.367113D+02 -0.250304D+01
      4  -0.267651D+01  0.230527D+01 -0.471075D+01  0.267512D+01  0.906616D+01
      5   0.116100D+01  0.883311D+01  0.105351D+01 -0.232680D+02 -0.404818D+01
      6   0.512996D+01 -0.154864D+01  0.321806D+01  0.679312D+01 -0.110252D+01
               281           282           283           284           285 
      1  -0.883853D+01  0.328258D+01 -0.700562D+01 -0.165933D+02  0.385047D+01
      2   0.128472D+02 -0.250554D+01  0.886957D+01  0.276154D+02 -0.323944D+01
      3  -0.400864D+01 -0.777035D+00 -0.186396D+01 -0.110221D+02 -0.611025D+00
      4   0.410513D+01  0.810915D+00  0.849675D+01  0.657150D+01 -0.135139D+01
      5  -0.201536D+01  0.545796D-01 -0.331766D+01 -0.344124D+01  0.346342D+00
      6  -0.844492D+01  0.458873D+01 -0.294434D+01 -0.943237D+01  0.578354D+01
               286           287           288           289           290 
      1  -0.428349D+00 -0.832393D+00 -0.344262D+01 -0.131538D+01 -0.189945D+01
      2   0.988542D+00  0.467258D+01  0.145913D+01 -0.191318D+01  0.164398D+01
      3  -0.560193D+00 -0.384018D+01  0.198349D+01  0.322856D+01  0.255467D+00
      4   0.301447D+01 -0.341356D+01  0.305025D+01 -0.865285D+00  0.107314D+01
      5  -0.371757D+00  0.829536D+00 -0.112180D+01  0.135914D+01 -0.921621D+00
      6   0.282180D+01  0.204178D+01 -0.153849D+01 -0.193245D+01 -0.196040D+01
               291           292           293           294           295 
      1   0.290104D+01  0.126482D+00 -0.208554D+01 -0.477030D+00  0.275590D+01
      2  -0.976437D+00  0.264992D+00 -0.332953D+00 -0.412962D+01 -0.887460D+00
      3  -0.192460D+01 -0.391474D+00  0.241850D+01  0.460665D+01 -0.186844D+01
      4  -0.214465D+01 -0.891462D+00  0.418271D+01 -0.562843D+00 -0.466919D+01
      5   0.475587D+01 -0.701904D-01 -0.506972D+00  0.155680D+01  0.336479D+01
      6   0.164584D+01 -0.165176D+01 -0.275923D-01  0.169929D+01  0.359747D+00
               296           297           298           299           300 
      1   0.569218D+01 -0.213864D+02 -0.329891D+01  0.382085D+01  0.277940D+00
      2  -0.918553D+00 -0.153045D+02  0.497179D+01 -0.395274D+01  0.203577D+00
      3  -0.477362D+01  0.366908D+02 -0.167288D+01  0.131886D+00 -0.481516D+00
      4   0.260187D+01  0.197656D+01 -0.187838D+01  0.562643D+00 -0.181898D+01
      5  -0.226788D+01  0.972050D+01 -0.257935D+01 -0.121402D+00 -0.844255D+00
      6   0.870115D+01 -0.222309D+02 -0.764410D+00 -0.410617D+01 -0.184014D+01
               301           302           303           304           305 
      1   0.594934D+01 -0.207685D+02 -0.422317D+01 -0.307316D+01 -0.134708D+01
      2  -0.393622D+01  0.325641D+02  0.336858D+01  0.212693D+01 -0.239487D+01
      3  -0.201312D+01 -0.117957D+02  0.854594D+00  0.946229D+00  0.374195D+01
      4   0.572775D+01  0.105838D+02  0.245269D+01 -0.317181D+01 -0.337540D+01
      5   0.319644D+01 -0.296172D+00  0.240807D+01 -0.130668D+01  0.560057D+00
      6   0.491062D+00  0.134488D+02  0.671894D+01 -0.143310D+01  0.299137D+01
               306           307           308           309           310 
      1  -0.489311D+01 -0.890109D+00  0.512568D+00  0.378150D+01 -0.240213D+01
      2   0.289343D+01 -0.225816D+01  0.454005D-01 -0.242996D+00  0.232475D+01
      3   0.199968D+01  0.314827D+01 -0.557969D+00 -0.353850D+01  0.773790D-01
      4  -0.416568D+00 -0.422071D+00 -0.128603D+01  0.469935D+00 -0.148682D+01
      5  -0.436330D+00  0.146466D+01 -0.702074D+00  0.318255D+01 -0.138292D+01
      6   0.187106D+01 -0.215757D+00 -0.198163D+01 -0.224675D+01 -0.138392D+01
               311           312           313           314           315 
      1  -0.467151D+01 -0.873698D+00  0.398751D+01 -0.473049D+01 -0.218691D+02
      2   0.218648D+01  0.445085D+01 -0.410748D+01 -0.347063D+00 -0.148425D+02
      3   0.248503D+01 -0.357716D+01  0.119967D+00  0.507755D+01  0.367116D+02
      4  -0.153309D+01  0.774583D+00  0.345347D+01  0.308448D+01  0.736877D+00
      5   0.615088D-01 -0.220482D+01  0.483720D+01  0.385346D+01  0.175164D+02
      6   0.165837D+01  0.325256D+01  0.125318D+01  0.720676D+01  0.167375D+02
               316           317           318           319           320 
      1   0.662172D+01 -0.346007D+01  0.613521D+00 -0.980295D+01  0.558320D+00
      2  -0.281421D+00 -0.611028D+00 -0.485064D+00  0.359259D+01  0.660303D+01
      3  -0.634030D+01  0.407110D+01 -0.128457D+00  0.621036D+01 -0.716135D+01
      4  -0.943656D+01  0.110096D+02  0.219719D+01  0.113639D+02 -0.225810D+02
      5  -0.147235D+01  0.235392D+01  0.222160D+01  0.779116D+01 -0.395209D+01
      6   0.232774D+01 -0.334945D+01 -0.160625D+01 -0.496355D+01  0.947139D+01
               321           322           323           324           325 
      1   0.167038D+01  0.637430D+01 -0.141864D+01 -0.240963D+01 -0.390205D+01
      2  -0.264630D+01 -0.334106D+01 -0.983810D+00  0.415282D+00  0.122328D+01
      3   0.975920D+00 -0.303324D+01  0.240245D+01  0.199434D+01  0.267877D+01
      4  -0.371667D+01  0.478742D+00  0.214544D+01 -0.365148D+01 -0.123246D+01
      5  -0.583958D+01 -0.134168D+00 -0.295616D+01 -0.788173D+00  0.725674D+00
      6   0.363778D+01 -0.969157D+00  0.181846D+01  0.175145D+01 -0.869716D+00
               326           327           328           329           330 
      1   0.685989D+00 -0.329712D+01  0.185289D+01 -0.148918D+01 -0.208029D+00
      2  -0.138586D+01 -0.167346D+01 -0.191547D+01 -0.147474D+01  0.885237D+00
      3   0.699872D+00  0.497058D+01  0.625795D-01  0.296392D+01 -0.677208D+00
      4   0.719379D+00  0.242632D+00  0.318023D+01 -0.908270D+00 -0.330748D+01
      5  -0.380610D+00  0.107187D+01 -0.545995D+00 -0.284321D+01  0.507073D+00
      6  -0.512720D+00  0.560075D+00 -0.140008D+01  0.108976D+01  0.537195D+01
               331           332           333 
      1  -0.335435D+01 -0.274601D+01 -0.185502D+02
      2   0.654458D+01 -0.122845D+01 -0.181587D+02
      3  -0.319023D+01  0.397446D+01  0.367089D+02
      4  -0.610989D+00 -0.416034D+01 -0.359868D+01
      5   0.818807D+01 -0.312376D+01 -0.240995D+02
      6  -0.513153D+00  0.386861D+01  0.265522D+01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.883090D-03      0.224459D-02      0.748715D-02
   x          0.191352D-03      0.486369D-03      0.162235D-02
   y          0.138826D-03      0.352861D-03      0.117702D-02
   z          0.850858D-03      0.216267D-02      0.721388D-02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.139420D+03      0.206599D+02      0.229872D+02
   aniso      0.253547D+02      0.375717D+01      0.418042D+01
   xx         0.147873D+03      0.219125D+02      0.243810D+02
   yx        -0.236901D-02     -0.351051D-03     -0.390597D-03
   yy         0.147870D+03      0.219120D+02      0.243804D+02
   zx        -0.100961D-03     -0.149609D-04     -0.166462D-04
   zy        -0.253378D-02     -0.375468D-03     -0.417764D-03
   zz         0.122517D+03      0.181551D+02      0.202003D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.146531D+03      0.217136D+02      0.241597D+02
   aniso      0.274990D+02      0.407494D+01      0.453398D+01
   xx         0.155699D+03      0.230722D+02      0.256713D+02
   yx        -0.260177D-02     -0.385543D-03     -0.428974D-03
   yy         0.155695D+03      0.230717D+02      0.256707D+02
   zx        -0.279290D-03     -0.413864D-04     -0.460486D-04
   zy        -0.299364D-02     -0.443611D-03     -0.493584D-03
   zz         0.128198D+03      0.189970D+02      0.211370D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6         -1.09586463         -5.50308848          0.32546661
     6         -0.79171345         -4.98889569         -2.46362738
     7         -1.47225398         -2.26963737         -2.95700418
    45          0.00013473          0.00009100          0.00017656
     7          0.42052229         -3.57325612          1.76689302
     7          1.82412374          1.95513621          2.98545080
     6          4.63501141          1.56408176          2.76805307
     6          5.35516074          1.70635312          0.01176668
     7          3.73937362         -0.13536852         -1.43689464
     7         -0.85445332          3.43191145         -1.88646038
     6         -3.64246209          3.95121761         -1.64562970
     6         -4.46100190          3.26979527          1.00041610
     7         -3.65718806          0.59124841          1.52988273
     1          7.35262507          1.27980299         -0.26190660
     1          5.01470516          3.58689163         -0.75884133
     1          5.64494176          2.97607793          3.87845868
     1          5.07911941         -0.28254537          3.56732240
     1         -4.04420657          5.92811316         -2.06661185
     1         -4.62154706          2.80932632         -3.05403169
     1         -6.49989077          3.46622884          1.22626436
     1         -3.56489235          4.48636463          2.40153000
     1         -1.97912045         -6.24237594         -3.58859664
     1          1.15615112         -5.27297299         -3.07305004
     1         -0.47629337         -7.40878345          0.80626716
     1         -3.06320060         -5.32744340          0.91293807
     1          2.25914378         -4.14875835          1.81670697
     1         -0.13680707         -3.60173339          3.61144617
     1         -3.38958046         -2.13120444         -3.09399889
     1         -0.83348953         -1.78074671         -4.70815721
     1         -4.96471876         -0.60433466          0.77155817
     1         -3.76900490          0.27654896          3.42780692
     1          0.11459015          4.92682632         -1.15136422
     1         -0.38472376          3.43288452         -3.75542533
     1          1.46192031          3.84757382          2.94426095
     1          1.25716700          1.40034455          4.74171999
     1          4.51698612         -1.89162280         -1.27849529
     1          3.86841282          0.27442683         -3.31549055

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.883090D-03      0.224459D-02      0.748715D-02
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.883090D-03      0.224459D-02      0.748715D-02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.139420D+03      0.206599D+02      0.229872D+02
   aniso      0.253547D+02      0.375717D+01      0.418042D+01
   xx         0.146683D+03      0.217361D+02      0.241847D+02
   yx        -0.865415D+00     -0.128241D+00     -0.142688D+00
   yy         0.147244D+03      0.218193D+02      0.242773D+02
   zx         0.529349D+01      0.784414D+00      0.872778D+00
   zy         0.383730D+01      0.568629D+00      0.632685D+00
   zz         0.124333D+03      0.184242D+02      0.204997D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.146531D+03      0.217136D+02      0.241597D+02
   aniso      0.274990D+02      0.407494D+01      0.453398D+01
   xx         0.154408D+03      0.228809D+02      0.254584D+02
   yx        -0.938561D+00     -0.139080D+00     -0.154748D+00
   yy         0.155017D+03      0.229711D+02      0.255588D+02
   zx         0.574107D+01      0.850738D+00      0.946574D+00
   zy         0.416159D+01      0.616685D+00      0.686154D+00
   zz         0.130168D+03      0.192889D+02      0.214618D+02

 ----------------------------------------------------------------------
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 I CLAIM NOT TO HAVE CONTROLLED EVENTS,
 BUT CONFESS PLAINLY THAT EVENTS HAVE CONTROLLED ME.

                                         A. LINCOLN
 Job cpu time:       1 days 12 hours 33 minutes 24.3 seconds.
 Elapsed time:       0 days  2 hours 17 minutes 14.9 seconds.
 File lengths (MBytes):  RWF=    791 Int=      0 D2E=      0 Chk=     22 Scr=      2
 Normal termination of Gaussian 16 at Thu Jul  8 21:39:47 2021.
